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Viewing all changes in revision 14.

Committer: Package Import Robot
Author(s): Anton Gladky
Date: 2015-04-29 23:44:49 UTC
mfrom: (5.1.3 experimental)
Revision ID: package-import@ubuntu.com-20150429234449-mbhy9utku6hp6oq8

Tags: 0~20150313.gitfa668e1-1

Upload into unstable.

files added:
.pc/10_set_configure_flags.patch

.pc/10_set_configure_flags.patch/src

.pc/10_set_configure_flags.patch/src/MAKE

.pc/10_set_configure_flags.patch/src/MAKE/Makefile.mpi

bench/FERMI

bench/FERMI/README

bench/FERMI/in.eam

bench/FERMI/in.eam.titan

bench/FERMI/in.lj

bench/FERMI/in.lj.titan

bench/FERMI/in.rhodo

bench/FERMI/in.rhodo.scaled.titan

bench/FERMI/in.rhodo.split.titan

bench/KEPLER

bench/KEPLER/Makefile.cpu

bench/KEPLER/Makefile.cuda

bench/KEPLER/Makefile.gpu

bench/KEPLER/Makefile.gpu.double

bench/KEPLER/Makefile.gpu.mixed

bench/KEPLER/Makefile.gpu.single

bench/KEPLER/Makefile.intel.cpu

bench/KEPLER/Makefile.kokkos.cuda

bench/KEPLER/Makefile.kokkos.omp

bench/KEPLER/Makefile.omp

bench/KEPLER/Makefile.opt

bench/KEPLER/README

bench/KEPLER/build.py

bench/KEPLER/in.lj

bench/KEPLER/run_cpu.sh

bench/KEPLER/run_cuda.sh

bench/KEPLER/run_gpu.sh

bench/KEPLER/run_intel_cpu.sh

bench/KEPLER/run_kokkos_cuda.sh

bench/KEPLER/run_kokkos_omp.sh

bench/KEPLER/run_omp.sh

bench/KEPLER/run_opt.sh

bench/KEPLER/run_strong.sh

bench/KEPLER/run_weak.sh

debian/patches/10_set_configure_flags.patch

doc/Eqs/compute_sna_atom1.jpg

doc/Eqs/compute_sna_atom1.tex

doc/Eqs/compute_sna_atom2.jpg

doc/Eqs/compute_sna_atom2.tex

doc/Eqs/compute_sna_atom3.jpg

doc/Eqs/compute_sna_atom3.tex

doc/Eqs/compute_sna_atom4.jpg

doc/Eqs/compute_sna_atom4.tex

doc/Eqs/compute_sna_atom5.jpg

doc/Eqs/compute_sna_atom5.tex

doc/Eqs/compute_sna_atom6.jpg

doc/Eqs/compute_sna_atom6.tex

doc/Eqs/fix_pimd.jpg

doc/Eqs/fix_pimd.tex

doc/Eqs/fix_rattle_constraints.jpg

doc/Eqs/fix_rattle_constraints.tex

doc/Eqs/fix_rattle_rij.jpg

doc/Eqs/fix_rattle_rij.tex

doc/Eqs/fix_ttm_blast.jpg

doc/Eqs/fix_ttm_blast.tex

doc/Eqs/fix_ttm_blast1.jpg

doc/Eqs/fix_ttm_blast1.tex

doc/Eqs/fix_ttm_ce.jpg

doc/Eqs/fix_ttm_ce.tex

doc/Eqs/fix_ttm_mod.jpg

doc/Eqs/fix_ttm_mod.tex

doc/Eqs/pair_cs.jpg

doc/Eqs/pair_cs.tex

doc/Eqs/pair_snap.jpg

doc/Eqs/pair_snap.tex

doc/Eqs/pair_srp1.jpg

doc/Eqs/pair_srp1.tex

doc/Eqs/pair_srp2.jpg

doc/Eqs/pair_srp2.tex

doc/JPG/balance_nonuniform.jpg

doc/JPG/balance_nonuniform_small.jpg

doc/JPG/balance_rcb.jpg

doc/JPG/balance_rcb_small.jpg

doc/JPG/balance_uniform.jpg

doc/JPG/balance_uniform_small.jpg

doc/JPG/pimd.jpg

doc/JPG/sinusoid.jpg

doc/JPG/sinusoid_small.jpg

doc/accelerate_cuda.html

doc/accelerate_cuda.txt

doc/accelerate_gpu.html

doc/accelerate_gpu.txt

doc/accelerate_intel.html

doc/accelerate_intel.txt

doc/accelerate_kokkos.html

doc/accelerate_kokkos.txt

doc/accelerate_omp.html

doc/accelerate_omp.txt

doc/accelerate_opt.html

doc/accelerate_opt.txt

doc/compute_chunk_atom.html

doc/compute_chunk_atom.txt

doc/compute_com_chunk.html

doc/compute_com_chunk.txt

doc/compute_gyration_chunk.html

doc/compute_gyration_chunk.txt

doc/compute_inertia_chunk.html

doc/compute_inertia_chunk.txt

doc/compute_msd_chunk.html

doc/compute_msd_chunk.txt

doc/compute_property_chunk.html

doc/compute_property_chunk.txt

doc/compute_sna_atom.html

doc/compute_sna_atom.txt

doc/compute_temp_chunk.html

doc/compute_temp_chunk.txt

doc/compute_temp_cs.html

doc/compute_temp_cs.txt

doc/compute_torque_chunk.html

doc/compute_torque_chunk.txt

doc/compute_vcm_chunk.html

doc/compute_vcm_chunk.txt

doc/create_bonds.html

doc/create_bonds.txt

doc/fix_atom_swap.html

doc/fix_atom_swap.txt

doc/fix_ave_chunk.html

doc/fix_ave_chunk.txt

doc/fix_ave_spatial_sphere.html

doc/fix_ave_spatial_sphere.txt

doc/fix_gle.html

doc/fix_gle.txt

doc/fix_ipi.html

doc/fix_ipi.txt

doc/fix_pimd.html

doc/fix_pimd.txt

doc/fix_qeq.html

doc/fix_qeq.txt

doc/fix_tfmc.html

doc/fix_tfmc.txt

doc/pair_cs.html

doc/pair_cs.txt

doc/pair_quip.html

doc/pair_quip.txt

doc/pair_snap.html

doc/pair_snap.txt

doc/pair_srp.html

doc/pair_srp.txt

examples/MC

examples/MC/README

examples/MC/in.mc

examples/MC/log.mc.6Jun14

examples/USER/gle

examples/USER/gle/data.h2o-quantum

examples/USER/gle/data.h2o-smart

examples/USER/gle/in.h2o-quantum

examples/USER/gle/in.h2o-smart

examples/USER/gle/log.h2o-quantum

examples/USER/gle/log.h2o-smart

examples/USER/gle/qt-300k.A

examples/USER/gle/qt-300k.C

examples/USER/gle/smart.A

examples/USER/i-pi

examples/USER/i-pi/C.opt.tersoff

examples/USER/i-pi/README

examples/USER/i-pi/data.graphene

examples/USER/i-pi/i-pi_input.xml

examples/USER/i-pi/i-pi_positions.xyz

examples/USER/i-pi/in.graphene

examples/USER/pimd

examples/USER/pimd/para-h2

examples/USER/pimd/para-h2/H2.data

examples/USER/pimd/para-h2/H2.xyz

examples/USER/pimd/para-h2/NM.info

examples/USER/pimd/para-h2/in.scp

examples/USER/pimd/para-h2/pair.table

examples/USER/pimd/para-h2/run.sh

examples/USER/pimd/para-h2/vmd.src

examples/USER/pimd/prot-hairpin

examples/USER/pimd/prot-hairpin/in.scp

examples/USER/pimd/prot-hairpin/run.sh

examples/USER/pimd/prot-hairpin/system.data

examples/USER/quip

examples/USER/quip/data_gap

examples/USER/quip/data_sw

examples/USER/quip/gap_example.xml

examples/USER/quip/gap_example_sparse.dat

examples/USER/quip/in.gap

examples/USER/quip/in.sw

examples/USER/quip/sw_example.xml

examples/USER/srp

examples/USER/srp/data.chain

examples/USER/srp/in.srp

examples/accelerate

examples/accelerate/Make.list

examples/accelerate/README

examples/accelerate/data.phosphate

examples/accelerate/in.lc

examples/accelerate/in.lj

examples/accelerate/in.lj.5.0

examples/accelerate/in.phosphate

examples/accelerate/in.rhodo

examples/accelerate/log.lj.1Feb14.gpu.1

examples/accelerate/log.lj.1Feb14.gpu.4

examples/accelerate/log.lj.1Feb14.kokkos.cuda.1

examples/accelerate/log.lj.1Feb14.kokkos.cuda.2

examples/accelerate/log.lj.1Feb14.kokkos.omp.1

examples/accelerate/log.lj.1Feb14.kokkos.omp.4

examples/accelerate/log.lj.5.0.1Feb14.gpu.1

examples/accelerate/log.lj.5.0.1Feb14.gpu.4

examples/accelerate/log.phosphate.1Feb14.gpu.1

examples/accelerate/log.phosphate.1Feb14.gpu.4

examples/accelerate/log.rhodo.1Feb14.gpu.1

examples/accelerate/log.rhodo.1Feb14.gpu.4

examples/balance

examples/balance/in.balance

examples/balance/in.balance.bond.fast

examples/balance/in.balance.bond.slow

examples/balance/log.balance.8Aug14.linux.1

examples/balance/log.balance.8Aug14.linux.4

examples/balance/log.balance.bond.fast.21Jan15.linux.1

examples/balance/log.balance.bond.fast.21Jan15.linux.4

examples/balance/log.balance.bond.slow.21Jan15.linux.1

examples/balance/log.balance.bond.slow.21Jan15.linux.4

examples/coreshell

examples/coreshell/data.coreshell

examples/coreshell/in.coreshell

examples/coreshell/log.coreshell.6Mar15.linux.1

examples/coreshell/log.coreshell.6Mar15.linux.4

examples/kim/log.kim.lj.27Jul14.ubuntu.1

examples/kim/log.kim.lj.27Jul14.ubuntu.4

examples/kim/log.kim.lj.lmp.27Jul14.ubuntu.1

examples/kim/log.kim.lj.lmp.27Jul14.ubuntu.4

examples/qeq

examples/qeq/data.CHO

examples/qeq/data.aC

examples/qeq/ffield.reax.cho

examples/qeq/in.qeq.buck

examples/qeq/in.qeq.reaxc

examples/qeq/log.qeq.buck.8Sep14.linux.1

examples/qeq/log.qeq.buck.8Sep14.linux.4

examples/qeq/log.qeq.reaxc.8Sep14.linux.1

examples/qeq/log.qeq.reaxc.8Sep14.linux.4

examples/qeq/param.qeq.reax

examples/qeq/param.qeq1

examples/qeq/param.qeq2

examples/snap

examples/snap/Ta06A.snapcoeff

examples/snap/Ta06A.snapparam

examples/snap/Ta06A_pot.snap

examples/snap/in.snap

examples/snap/log.snap.5Sep14.linux.1

examples/snap/log.snap.5Sep14.linux.4

examples/streitz

examples/streitz/AlO.eam.alloy

examples/streitz/AlO.streitz

examples/streitz/data.streitz

examples/streitz/in.streitz.ewald

examples/streitz/in.streitz.wolf

examples/streitz/log.streitz.ewald.19Feb15.linux.1

examples/streitz/log.streitz.ewald.19Feb15.linux.4

examples/streitz/log.streitz.wolf.19Feb15.linux.1

examples/streitz/log.streitz.wolf.19Feb15.linux.4

lib/atc/POEMSChain.h

lib/atc/SystemProcessor.h

lib/awpmd/Makefile.mpicc

lib/colvars/colvarbias_alb.cpp

lib/colvars/colvarbias_alb.h

lib/colvars/colvarbias_restraint.cpp

lib/colvars/colvarbias_restraint.h

lib/colvars/colvarscript.cpp

lib/colvars/colvarscript.h

lib/colvars/colvartypes.cpp

lib/gpu/Makefile.linux.single

lib/gpu/lal_coul.cpp

lib/gpu/lal_coul.cu

lib/gpu/lal_coul.h

lib/gpu/lal_coul_debye.cpp

lib/gpu/lal_coul_debye.cu

lib/gpu/lal_coul_debye.h

lib/gpu/lal_coul_debye_ext.cpp

lib/gpu/lal_coul_ext.cpp

lib/kim

lib/kim/Makefile.lammps

lib/kim/README

lib/kokkos

lib/kokkos/Makefile.lammps

lib/kokkos/README

lib/kokkos/TPL

lib/kokkos/TPL/KokkosTPL_dummy.cpp

lib/kokkos/TPL/cmake

lib/kokkos/TPL/cmake/Dependencies.cmake

lib/kokkos/TPL/cub

lib/kokkos/TPL/cub/block

lib/kokkos/TPL/cub/block/block_discontinuity.cuh

lib/kokkos/TPL/cub/block/block_exchange.cuh

lib/kokkos/TPL/cub/block/block_histogram.cuh

lib/kokkos/TPL/cub/block/block_load.cuh

lib/kokkos/TPL/cub/block/block_radix_rank.cuh

lib/kokkos/TPL/cub/block/block_radix_sort.cuh

lib/kokkos/TPL/cub/block/block_raking_layout.cuh

lib/kokkos/TPL/cub/block/block_reduce.cuh

lib/kokkos/TPL/cub/block/block_scan.cuh

lib/kokkos/TPL/cub/block/block_store.cuh

lib/kokkos/TPL/cub/block/specializations

lib/kokkos/TPL/cub/block/specializations/block_histogram_atomic.cuh

lib/kokkos/TPL/cub/block/specializations/block_histogram_sort.cuh

lib/kokkos/TPL/cub/block/specializations/block_reduce_raking.cuh

lib/kokkos/TPL/cub/block/specializations/block_reduce_warp_reductions.cuh

lib/kokkos/TPL/cub/block/specializations/block_scan_raking.cuh

lib/kokkos/TPL/cub/block/specializations/block_scan_warp_scans.cuh

lib/kokkos/TPL/cub/cub.cuh

lib/kokkos/TPL/cub/device

lib/kokkos/TPL/cub/device/block

lib/kokkos/TPL/cub/device/block/block_histo_tiles.cuh

lib/kokkos/TPL/cub/device/block/block_partition_tiles.cuh

lib/kokkos/TPL/cub/device/block/block_radix_sort_downsweep_tiles.cuh

lib/kokkos/TPL/cub/device/block/block_radix_sort_upsweep_tiles.cuh

lib/kokkos/TPL/cub/device/block/block_reduce_by_key_tiles.cuh

lib/kokkos/TPL/cub/device/block/block_reduce_tiles.cuh

lib/kokkos/TPL/cub/device/block/block_scan_tiles.cuh

lib/kokkos/TPL/cub/device/block/scan_tiles_types.cuh

lib/kokkos/TPL/cub/device/block/specializations

lib/kokkos/TPL/cub/device/block/specializations/block_histo_tiles_gatomic.cuh

lib/kokkos/TPL/cub/device/block/specializations/block_histo_tiles_satomic.cuh

lib/kokkos/TPL/cub/device/block/specializations/block_histo_tiles_sort.cuh

lib/kokkos/TPL/cub/device/device_histogram.cuh

lib/kokkos/TPL/cub/device/device_radix_sort.cuh

lib/kokkos/TPL/cub/device/device_reduce.cuh

lib/kokkos/TPL/cub/device/device_reduce_by_key.cuh

lib/kokkos/TPL/cub/device/device_reorder.cuh

lib/kokkos/TPL/cub/device/device_scan.cuh

lib/kokkos/TPL/cub/grid

lib/kokkos/TPL/cub/grid/grid_barrier.cuh

lib/kokkos/TPL/cub/grid/grid_even_share.cuh

lib/kokkos/TPL/cub/grid/grid_mapping.cuh

lib/kokkos/TPL/cub/grid/grid_queue.cuh

lib/kokkos/TPL/cub/host

lib/kokkos/TPL/cub/host/spinlock.cuh

lib/kokkos/TPL/cub/thread

lib/kokkos/TPL/cub/thread/thread_load.cuh

lib/kokkos/TPL/cub/thread/thread_operators.cuh

lib/kokkos/TPL/cub/thread/thread_reduce.cuh

lib/kokkos/TPL/cub/thread/thread_scan.cuh

lib/kokkos/TPL/cub/thread/thread_store.cuh

lib/kokkos/TPL/cub/util_allocator.cuh

lib/kokkos/TPL/cub/util_arch.cuh

lib/kokkos/TPL/cub/util_debug.cuh

lib/kokkos/TPL/cub/util_device.cuh

lib/kokkos/TPL/cub/util_iterator.cuh

lib/kokkos/TPL/cub/util_macro.cuh

lib/kokkos/TPL/cub/util_namespace.cuh

lib/kokkos/TPL/cub/util_ptx.cuh

lib/kokkos/TPL/cub/util_type.cuh

lib/kokkos/TPL/cub/util_vector.cuh

lib/kokkos/TPL/cub/warp

lib/kokkos/TPL/cub/warp/specializations

lib/kokkos/TPL/cub/warp/specializations/warp_reduce_shfl.cuh

lib/kokkos/TPL/cub/warp/specializations/warp_reduce_smem.cuh

lib/kokkos/TPL/cub/warp/specializations/warp_scan_shfl.cuh

lib/kokkos/TPL/cub/warp/specializations/warp_scan_smem.cuh

lib/kokkos/TPL/cub/warp/warp_reduce.cuh

lib/kokkos/TPL/cub/warp/warp_scan.cuh

lib/kokkos/algorithms

lib/kokkos/algorithms/src

lib/kokkos/algorithms/src/Kokkos_Random.hpp

lib/kokkos/algorithms/src/Kokkos_Sort.hpp

lib/kokkos/containers

lib/kokkos/containers/src

lib/kokkos/containers/src/Kokkos_Bitset.hpp

lib/kokkos/containers/src/Kokkos_DualView.hpp

lib/kokkos/containers/src/Kokkos_Functional.hpp

lib/kokkos/containers/src/Kokkos_SegmentedView.hpp

lib/kokkos/containers/src/Kokkos_StaticCrsGraph.hpp

lib/kokkos/containers/src/Kokkos_UnorderedMap.hpp

lib/kokkos/containers/src/Kokkos_Vector.hpp

lib/kokkos/containers/src/impl

lib/kokkos/containers/src/impl/Kokkos_Bitset_impl.hpp

lib/kokkos/containers/src/impl/Kokkos_Functional_impl.hpp

lib/kokkos/containers/src/impl/Kokkos_StaticCrsGraph_factory.hpp

lib/kokkos/containers/src/impl/Kokkos_UnorderedMap_impl.cpp

lib/kokkos/containers/src/impl/Kokkos_UnorderedMap_impl.hpp

lib/kokkos/core

lib/kokkos/core/src

lib/kokkos/core/src/Cuda

lib/kokkos/core/src/Cuda/Kokkos_CudaExec.hpp

lib/kokkos/core/src/Cuda/Kokkos_CudaSpace.cpp

lib/kokkos/core/src/Cuda/Kokkos_Cuda_Impl.cpp

lib/kokkos/core/src/Cuda/Kokkos_Cuda_Internal.hpp

lib/kokkos/core/src/Cuda/Kokkos_Cuda_Parallel.hpp

lib/kokkos/core/src/Cuda/Kokkos_Cuda_ReduceScan.hpp

lib/kokkos/core/src/Cuda/Kokkos_Cuda_Vectorization.hpp

lib/kokkos/core/src/Cuda/Kokkos_Cuda_View.hpp

lib/kokkos/core/src/Cuda/Kokkos_Cuda_abort.hpp

lib/kokkos/core/src/Kokkos_Atomic.hpp

lib/kokkos/core/src/Kokkos_Core.hpp

lib/kokkos/core/src/Kokkos_Core_fwd.hpp

lib/kokkos/core/src/Kokkos_CrsArray.hpp

lib/kokkos/core/src/Kokkos_Cuda.hpp

lib/kokkos/core/src/Kokkos_CudaSpace.hpp

lib/kokkos/core/src/Kokkos_CudaTypes.hpp

lib/kokkos/core/src/Kokkos_ExecPolicy.hpp

lib/kokkos/core/src/Kokkos_HostSpace.hpp

lib/kokkos/core/src/Kokkos_Layout.hpp

lib/kokkos/core/src/Kokkos_Macros.hpp

lib/kokkos/core/src/Kokkos_MemoryTraits.hpp

lib/kokkos/core/src/Kokkos_OpenMP.hpp

lib/kokkos/core/src/Kokkos_Pair.hpp

lib/kokkos/core/src/Kokkos_Parallel.hpp

lib/kokkos/core/src/Kokkos_Qthread.hpp

lib/kokkos/core/src/Kokkos_ScratchSpace.hpp

lib/kokkos/core/src/Kokkos_Serial.hpp

lib/kokkos/core/src/Kokkos_TaskPolicy.hpp

lib/kokkos/core/src/Kokkos_Threads.hpp

lib/kokkos/core/src/Kokkos_Vectorization.hpp

lib/kokkos/core/src/Kokkos_View.hpp

lib/kokkos/core/src/Kokkos_hwloc.hpp

lib/kokkos/core/src/OpenMP

lib/kokkos/core/src/OpenMP/Kokkos_OpenMP_Parallel.hpp

lib/kokkos/core/src/OpenMP/Kokkos_OpenMPexec.cpp

lib/kokkos/core/src/OpenMP/Kokkos_OpenMPexec.hpp

lib/kokkos/core/src/Qthread

lib/kokkos/core/src/Qthread/Kokkos_QthreadExec.cpp

lib/kokkos/core/src/Qthread/Kokkos_QthreadExec.hpp

lib/kokkos/core/src/Qthread/Kokkos_Qthread_Parallel.hpp

lib/kokkos/core/src/Qthread/Kokkos_Qthread_TaskPolicy.cpp

lib/kokkos/core/src/Qthread/Kokkos_Qthread_TaskPolicy.hpp

lib/kokkos/core/src/Threads

lib/kokkos/core/src/Threads/Kokkos_ThreadsExec.cpp

lib/kokkos/core/src/Threads/Kokkos_ThreadsExec.hpp

lib/kokkos/core/src/Threads/Kokkos_ThreadsExec_base.cpp

lib/kokkos/core/src/Threads/Kokkos_Threads_Parallel.hpp

lib/kokkos/core/src/build.cuda.mac

lib/kokkos/core/src/build_common.sh

lib/kokkos/core/src/impl

lib/kokkos/core/src/impl/Kokkos_AnalyzeShape.hpp

lib/kokkos/core/src/impl/Kokkos_Atomic_Assembly_X86.hpp

lib/kokkos/core/src/impl/Kokkos_Atomic_Compare_Exchange_Strong.hpp

lib/kokkos/core/src/impl/Kokkos_Atomic_Exchange.hpp

lib/kokkos/core/src/impl/Kokkos_Atomic_Fetch_Add.hpp

lib/kokkos/core/src/impl/Kokkos_Atomic_Fetch_And.hpp

lib/kokkos/core/src/impl/Kokkos_Atomic_Fetch_Or.hpp

lib/kokkos/core/src/impl/Kokkos_Atomic_Generic.hpp

lib/kokkos/core/src/impl/Kokkos_Atomic_View.hpp

lib/kokkos/core/src/impl/Kokkos_Core.cpp

lib/kokkos/core/src/impl/Kokkos_CrsArray_factory.hpp

lib/kokkos/core/src/impl/Kokkos_Error.cpp

lib/kokkos/core/src/impl/Kokkos_Error.hpp

lib/kokkos/core/src/impl/Kokkos_FunctorAdapter.hpp

lib/kokkos/core/src/impl/Kokkos_HostSpace.cpp

lib/kokkos/core/src/impl/Kokkos_MemoryTracking.hpp

lib/kokkos/core/src/impl/Kokkos_Memory_Fence.hpp

lib/kokkos/core/src/impl/Kokkos_PhysicalLayout.hpp

lib/kokkos/core/src/impl/Kokkos_Serial.cpp

lib/kokkos/core/src/impl/Kokkos_Serial_TaskPolicy.cpp

lib/kokkos/core/src/impl/Kokkos_Serial_TaskPolicy.hpp

lib/kokkos/core/src/impl/Kokkos_Shape.cpp

lib/kokkos/core/src/impl/Kokkos_Shape.hpp

lib/kokkos/core/src/impl/Kokkos_StaticAssert.hpp

lib/kokkos/core/src/impl/Kokkos_Tags.hpp

lib/kokkos/core/src/impl/Kokkos_Timer.hpp

lib/kokkos/core/src/impl/Kokkos_Traits.hpp

lib/kokkos/core/src/impl/Kokkos_ViewDefault.hpp

lib/kokkos/core/src/impl/Kokkos_ViewOffset.hpp

lib/kokkos/core/src/impl/Kokkos_ViewSupport.hpp

lib/kokkos/core/src/impl/Kokkos_ViewTileLeft.hpp

lib/kokkos/core/src/impl/Kokkos_Volatile_Load.hpp

lib/kokkos/core/src/impl/Kokkos_hwloc.cpp

lib/kokkos/core/src/impl/Kokkos_spinwait.cpp

lib/kokkos/core/src/impl/Kokkos_spinwait.hpp

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tools/moltemplate/examples/coarse_grained_examples

tools/moltemplate/examples/coarse_grained_examples/3bodyWater+hydrocarbons_MW+TraPPE

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tools/moltemplate/examples/coarse_grained_examples/MARTINI_examples

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tools/moltemplate/examples/coarse_grained_examples/membrane+protein_Brannigan2005+Bellesia2010

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tools/moltemplate/examples/silly/pyramids_vs_gravity/README_setup.sh

tools/moltemplate/examples/silly/pyramids_vs_gravity/README_visualize.txt

tools/moltemplate/examples/silly/pyramids_vs_gravity/images

tools/moltemplate/examples/silly/pyramids_vs_gravity/images/pyramids_vs_gravity_t=04800steps_LR.jpg

tools/moltemplate/examples/silly/pyramids_vs_gravity/images/pyramids_vs_gravity_t=12200steps_LR.jpg

tools/moltemplate/examples/silly/pyramids_vs_gravity/images/pyramids_vs_gravity_t=33000steps_LR.jpg

tools/moltemplate/examples/silly/pyramids_vs_gravity/moltemplate_files

tools/moltemplate/examples/silly/pyramids_vs_gravity/moltemplate_files/README.sh

tools/moltemplate/examples/silly/pyramids_vs_gravity/moltemplate_files/graphene.lt

tools/moltemplate/examples/silly/pyramids_vs_gravity/moltemplate_files/graphene_wall.lt

tools/moltemplate/examples/silly/pyramids_vs_gravity/moltemplate_files/pyramids.lt

tools/moltemplate/examples/silly/pyramids_vs_gravity/moltemplate_files/system.lt

tools/moltemplate/examples/silly/pyramids_vs_gravity/run.in

tools/moltemplate/examples/silly/sierpinski

tools/moltemplate/examples/silly/sierpinski/README.TXT

tools/moltemplate/examples/silly/sierpinski/README_setup.sh

tools/moltemplate/examples/silly/sierpinski/README_visualize.txt

tools/moltemplate/examples/silly/sierpinski/images

tools/moltemplate/examples/silly/sierpinski/images/AlCell_LR.jpg

tools/moltemplate/examples/silly/sierpinski/images/lvl1_LR.jpg

tools/moltemplate/examples/silly/sierpinski/images/lvl2_LR.jpg

tools/moltemplate/examples/silly/sierpinski/images/lvl3_LR.jpg

tools/moltemplate/examples/silly/sierpinski/images/serpinski_cube_lattice_8cells_t=0_zoom1_LR2.jpg

tools/moltemplate/examples/silly/sierpinski/images/serpinski_cube_lattice_8cells_t=7400_LR.jpg

tools/moltemplate/examples/silly/sierpinski/moltemplate_files

tools/moltemplate/examples/silly/sierpinski/moltemplate_files/al_cell.lt

tools/moltemplate/examples/silly/sierpinski/moltemplate_files/elegant_inefficient_version

tools/moltemplate/examples/silly/sierpinski/moltemplate_files/elegant_inefficient_version/al_cell.lt

tools/moltemplate/examples/silly/sierpinski/moltemplate_files/elegant_inefficient_version/sierpinski_cubes.lt

tools/moltemplate/examples/silly/sierpinski/moltemplate_files/elegant_inefficient_version/system.lt

tools/moltemplate/examples/silly/sierpinski/moltemplate_files/sierpinski_cubes.lt

tools/moltemplate/examples/silly/sierpinski/moltemplate_files/system.lt

tools/moltemplate/examples/silly/sierpinski/run.in

tools/moltemplate/src/nbody_alternate_symmetry/nbody_ImpropersIJIKILnoswap.py

tools/moltemplate/src/nbody_alternate_symmetry/nbody_ImpropersIJIKILswapJK.py

tools/moltemplate/src/nbody_alternate_symmetry/nbody_ImpropersIJIKILswapJKL.py

tools/moltemplate/src/nbody_alternate_symmetry/nbody_ImpropersJIJKJLnoswap.py

tools/moltemplate/src/nbody_alternate_symmetry/nbody_ImpropersJIJKJLswapIK.py

tools/moltemplate/src/nbody_alternate_symmetry/nbody_ImpropersJIJKJLswapIKL.py

tools/moltemplate/src/nbody_alternate_symmetry/nbody_ImpropersJIJKJLswapJK.py

files modified:
.pc/applied-patches

bench/README

bench/in.chute

debian/changelog

debian/control

debian/copyright

debian/patches/series

debian/rules

doc/Manual.html

doc/Manual.pdf

doc/Manual.txt

doc/PDF/PDLammps_EPS.pdf

doc/PDF/PDLammps_VES.pdf

doc/PDF/colvars-refman-lammps.pdf

doc/Section_accelerate.html

doc/Section_accelerate.txt

doc/Section_commands.html

doc/Section_commands.txt

doc/Section_errors.html

doc/Section_errors.txt

doc/Section_example.html

doc/Section_example.txt

doc/Section_howto.html

doc/Section_howto.txt

doc/Section_intro.html

doc/Section_intro.txt

doc/Section_modify.html

doc/Section_modify.txt

doc/Section_packages.html

doc/Section_packages.txt

doc/Section_python.html

doc/Section_python.txt

doc/Section_start.html

doc/Section_start.txt

doc/Section_tools.html

doc/Section_tools.txt

doc/angle_charmm.html

doc/angle_charmm.txt

doc/angle_class2.html

doc/angle_class2.txt

doc/angle_cosine.html

doc/angle_cosine.txt

doc/angle_cosine_delta.html

doc/angle_cosine_delta.txt

doc/angle_cosine_periodic.html

doc/angle_cosine_periodic.txt

doc/angle_cosine_shift.html

doc/angle_cosine_shift.txt

doc/angle_cosine_shift_exp.html

doc/angle_cosine_shift_exp.txt

doc/angle_cosine_squared.html

doc/angle_cosine_squared.txt

doc/angle_dipole.html

doc/angle_dipole.txt

doc/angle_fourier.html

doc/angle_fourier.txt

doc/angle_fourier_simple.html

doc/angle_fourier_simple.txt

doc/angle_harmonic.html

doc/angle_harmonic.txt

doc/angle_hybrid.html

doc/angle_hybrid.txt

doc/angle_quartic.html

doc/angle_quartic.txt

doc/angle_style.html

doc/angle_style.txt

doc/angle_table.html

doc/angle_table.txt

doc/atom_style.html

doc/atom_style.txt

doc/balance.html

doc/balance.txt

doc/bond_class2.html

doc/bond_class2.txt

doc/bond_fene.html

doc/bond_fene.txt

doc/bond_fene_expand.html

doc/bond_fene_expand.txt

doc/bond_harmonic.html

doc/bond_harmonic.txt

doc/bond_harmonic_shift.html

doc/bond_harmonic_shift.txt

doc/bond_harmonic_shift_cut.html

doc/bond_harmonic_shift_cut.txt

doc/bond_hybrid.html

doc/bond_hybrid.txt

doc/bond_morse.html

doc/bond_morse.txt

doc/bond_nonlinear.html

doc/bond_nonlinear.txt

doc/bond_quartic.html

doc/bond_quartic.txt

doc/bond_style.html

doc/bond_style.txt

doc/bond_table.html

doc/bond_table.txt

doc/change_box.html

doc/change_box.txt

doc/comm_modify.html

doc/comm_modify.txt

doc/comm_style.html

doc/comm_style.txt

doc/compute.html

doc/compute.txt

doc/compute_com.html

doc/compute_com.txt

doc/compute_displace_atom.html

doc/compute_displace_atom.txt

doc/compute_fep.html

doc/compute_fep.txt

doc/compute_gyration.html

doc/compute_gyration.txt

doc/compute_heat_flux.html

doc/compute_heat_flux.txt

doc/compute_msd.html

doc/compute_msd.txt

doc/compute_pair_local.html

doc/compute_pair_local.txt

doc/compute_pressure.html

doc/compute_pressure.txt

doc/compute_property_atom.html

doc/compute_property_atom.txt

doc/compute_stress_atom.html

doc/compute_stress_atom.txt

doc/compute_temp_asphere.html

doc/compute_temp_asphere.txt

doc/compute_temp_region.html

doc/compute_temp_region.txt

doc/compute_temp_sphere.html

doc/compute_temp_sphere.txt

doc/compute_vacf.html

doc/compute_vacf.txt

doc/create_atoms.html

doc/create_atoms.txt

doc/create_box.html

doc/create_box.txt

doc/delete_atoms.html

doc/delete_atoms.txt

doc/delete_bonds.html

doc/delete_bonds.txt

doc/dihedral_charmm.html

doc/dihedral_charmm.txt

doc/dihedral_class2.html

doc/dihedral_class2.txt

doc/dihedral_cosine_shift_exp.html

doc/dihedral_cosine_shift_exp.txt

doc/dihedral_fourier.html

doc/dihedral_fourier.txt

doc/dihedral_harmonic.html

doc/dihedral_harmonic.txt

doc/dihedral_helix.html

doc/dihedral_helix.txt

doc/dihedral_hybrid.html

doc/dihedral_hybrid.txt

doc/dihedral_multi_harmonic.html

doc/dihedral_multi_harmonic.txt

doc/dihedral_nharmonic.html

doc/dihedral_nharmonic.txt

doc/dihedral_opls.html

doc/dihedral_opls.txt

doc/dihedral_quadratic.html

doc/dihedral_quadratic.txt

doc/dihedral_style.html

doc/dihedral_style.txt

doc/dihedral_table.html

doc/dihedral_table.txt

doc/dump.html

doc/dump.txt

doc/dump_image.html

doc/dump_image.txt

doc/dump_modify.html

doc/dump_modify.txt

doc/fix.html

doc/fix.txt

doc/fix_adapt.html

doc/fix_adapt.txt

doc/fix_adapt_fep.html

doc/fix_adapt_fep.txt

doc/fix_addforce.html

doc/fix_addforce.txt

doc/fix_ave_spatial.html

doc/fix_ave_spatial.txt

doc/fix_balance.html

doc/fix_balance.txt

doc/fix_bond_create.html

doc/fix_bond_create.txt

doc/fix_bond_swap.html

doc/fix_bond_swap.txt

doc/fix_box_relax.html

doc/fix_box_relax.txt

doc/fix_deposit.html

doc/fix_deposit.txt

doc/fix_freeze.html

doc/fix_freeze.txt

doc/fix_gcmc.html

doc/fix_gcmc.txt

doc/fix_gravity.html

doc/fix_gravity.txt

doc/fix_langevin.html

doc/fix_langevin.txt

doc/fix_move.html

doc/fix_move.txt

doc/fix_nh.html

doc/fix_nh.txt

doc/fix_nph_asphere.html

doc/fix_nph_asphere.txt

doc/fix_nph_sphere.html

doc/fix_nph_sphere.txt

doc/fix_nphug.html

doc/fix_nphug.txt

doc/fix_npt_asphere.html

doc/fix_npt_asphere.txt

doc/fix_npt_sphere.html

doc/fix_npt_sphere.txt

doc/fix_nve.html

doc/fix_nve.txt

doc/fix_nve_sphere.html

doc/fix_nve_sphere.txt

doc/fix_nvt_asphere.html

doc/fix_nvt_asphere.txt

doc/fix_nvt_sllod.html

doc/fix_nvt_sllod.txt

doc/fix_nvt_sphere.html

doc/fix_nvt_sphere.txt

doc/fix_oneway.html

doc/fix_oneway.txt

doc/fix_phonon.html

doc/fix_phonon.txt

doc/fix_qeq_comb.html

doc/fix_qeq_comb.txt

doc/fix_qeq_reax.html

doc/fix_qeq_reax.txt

doc/fix_rigid.html

doc/fix_rigid.txt

doc/fix_shake.html

doc/fix_shake.txt

doc/fix_store_state.html

doc/fix_store_state.txt

doc/fix_temp_berendsen.html

doc/fix_temp_berendsen.txt

doc/fix_ttm.html

doc/fix_ttm.txt

doc/fix_vector.html

doc/fix_vector.txt

doc/fix_wall.html

doc/fix_wall.txt

doc/fix_wall_piston.html

doc/fix_wall_piston.txt

doc/fix_wall_region.html

doc/fix_wall_region.txt

doc/group.html

doc/group.txt

doc/improper_class2.html

doc/improper_class2.txt

doc/improper_cossq.html

doc/improper_cossq.txt

doc/improper_cvff.html

doc/improper_cvff.txt

doc/improper_fourier.html

doc/improper_fourier.txt

doc/improper_harmonic.html

doc/improper_harmonic.txt

doc/improper_hybrid.html

doc/improper_hybrid.txt

doc/improper_ring.html

doc/improper_ring.txt

doc/improper_style.html

doc/improper_style.txt

doc/improper_umbrella.html

doc/improper_umbrella.txt

doc/kspace_modify.html

doc/kspace_modify.txt

doc/kspace_style.html

doc/kspace_style.txt

doc/lattice.html

doc/lattice.txt

doc/min_modify.html

doc/min_modify.txt

doc/minimize.html

doc/minimize.txt

doc/molecule.html

doc/molecule.txt

doc/neb.html

doc/neb.txt

doc/neigh_modify.html

doc/neigh_modify.txt

doc/package.html

doc/package.txt

doc/pair_adp.html

doc/pair_adp.txt

doc/pair_airebo.html

doc/pair_airebo.txt

doc/pair_beck.html

doc/pair_beck.txt

doc/pair_born.html

doc/pair_born.txt

doc/pair_brownian.html

doc/pair_brownian.txt

doc/pair_buck.html

doc/pair_buck.txt

doc/pair_buck_long.html

doc/pair_buck_long.txt

doc/pair_charmm.html

doc/pair_charmm.txt

doc/pair_class2.html

doc/pair_class2.txt

doc/pair_colloid.html

doc/pair_colloid.txt

doc/pair_comb.html

doc/pair_comb.txt

doc/pair_coul.html

doc/pair_coul.txt

doc/pair_dipole.html

doc/pair_dipole.txt

doc/pair_dpd.html

doc/pair_dpd.txt

doc/pair_eam.html

doc/pair_eam.txt

doc/pair_edip.html

doc/pair_edip.txt

doc/pair_eff.html

doc/pair_eff.txt

doc/pair_eim.html

doc/pair_eim.txt

doc/pair_gauss.html

doc/pair_gauss.txt

doc/pair_gayberne.html

doc/pair_gayberne.txt

doc/pair_gran.html

doc/pair_gran.txt

doc/pair_gromacs.html

doc/pair_gromacs.txt

doc/pair_hbond_dreiding.html

doc/pair_hbond_dreiding.txt

doc/pair_hybrid.html

doc/pair_hybrid.txt

doc/pair_kim.html

doc/pair_kim.txt

doc/pair_line_lj.html

doc/pair_line_lj.txt

doc/pair_lj.html

doc/pair_lj.txt

doc/pair_lj96.html

doc/pair_lj96.txt

doc/pair_lj_cubic.html

doc/pair_lj_cubic.txt

doc/pair_lj_expand.html

doc/pair_lj_expand.txt

doc/pair_lj_long.html

doc/pair_lj_long.txt

doc/pair_lj_sf.html

doc/pair_lj_sf.txt

doc/pair_lj_smooth.html

doc/pair_lj_smooth.txt

doc/pair_lj_smooth_linear.html

doc/pair_lj_smooth_linear.txt

doc/pair_lj_soft.html

doc/pair_lj_soft.txt

doc/pair_lubricate.html

doc/pair_lubricate.txt

doc/pair_meam_spline.html

doc/pair_meam_spline.txt

doc/pair_modify.html

doc/pair_modify.txt

doc/pair_morse.html

doc/pair_morse.txt

doc/pair_nb3b_harmonic.html

doc/pair_nb3b_harmonic.txt

doc/pair_nm.html

doc/pair_nm.txt

doc/pair_peri.html

doc/pair_peri.txt

doc/pair_resquared.html

doc/pair_resquared.txt

doc/pair_sdk.html

doc/pair_sdk.txt

doc/pair_soft.html

doc/pair_soft.txt

doc/pair_style.html

doc/pair_style.txt

doc/pair_sw.html

doc/pair_sw.txt

doc/pair_table.html

doc/pair_table.txt

doc/pair_tersoff.html

doc/pair_tersoff.txt

doc/pair_tersoff_mod.html

doc/pair_tersoff_mod.txt

doc/pair_tersoff_zbl.html

doc/pair_tersoff_zbl.txt

doc/pair_tri_lj.html

doc/pair_tri_lj.txt

doc/pair_yukawa.html

doc/pair_yukawa.txt

doc/pair_yukawa_colloid.html

doc/pair_yukawa_colloid.txt

doc/pair_zbl.html

doc/pair_zbl.txt

doc/processors.html

doc/processors.txt

doc/read_data.html

doc/read_data.txt

doc/read_dump.html

doc/read_dump.txt

doc/read_restart.html

doc/read_restart.txt

doc/run.html

doc/run.txt

doc/set.html

doc/set.txt

doc/special_bonds.html

doc/special_bonds.txt

doc/suffix.html

doc/suffix.txt

doc/thermo_style.html

doc/thermo_style.txt

doc/units.html

doc/units.txt

doc/variable.html

doc/variable.txt

doc/velocity.html

doc/velocity.txt

examples/ASPHERE/box/in.box

examples/ASPHERE/box/in.box.mp

examples/ASPHERE/dimer/in.dimer

examples/ASPHERE/dimer/in.dimer.mp

examples/ASPHERE/ellipsoid/in.ellipsoid

examples/ASPHERE/ellipsoid/in.ellipsoid.mp

examples/ASPHERE/line/in.line.srd

examples/ASPHERE/poly/in.poly

examples/ASPHERE/poly/in.poly.mp

examples/ASPHERE/star/in.star

examples/ASPHERE/star/in.star.mp

examples/ASPHERE/tri/in.tri.srd

examples/COUPLE/lammps_quest/lmpqst.cpp

examples/COUPLE/simple/README

examples/COUPLE/simple/in.lj

examples/COUPLE/simple/simple.c

examples/COUPLE/simple/simple.cpp

examples/COUPLE/simple/simple.f90

examples/KAPPA/README

examples/README

examples/USER/atc/hardy/consistency.screen

examples/USER/atc/hardy/eam_kernel_convergence.screen

examples/USER/atc/hardy/eam_unistrain_cell.screen

examples/USER/atc/hardy/eam_unistrain_mesh.screen

examples/USER/atc/hardy/eam_unistrain_qcylinder.screen

examples/USER/atc/hardy/eam_unistrain_qsphere.screen

examples/USER/atc/hardy/eam_unistrain_step.screen

examples/USER/atc/hardy/eam_volume_stretch.screen

examples/USER/atc/hardy/eshelby_static.screen

examples/USER/atc/hardy/nvt.screen

examples/USER/eff/Auger-Adamantane/in.adamantane_ionized.nve

examples/USER/eff/Be-solid/in.Be-solid.spe

examples/USER/eff/CH4/in.ch4.dynamics

examples/USER/eff/CH4/in.ch4.min

examples/USER/eff/CH4/in.ch4_ionized.dynamics

examples/USER/eff/ECP/Si2H6/in.Si2H6

examples/USER/eff/ECP/Si2H6/in.Si2H6.ang

examples/USER/eff/ECP/SiC/bulk/in.SiC

examples/USER/eff/ECP/SiH4/in.SiH4

examples/USER/eff/ECP/SiH4/in.SiH4.ang

examples/USER/eff/H/in.h_atom.spe.ang

examples/USER/eff/H/in.h_atom.spe.bohr

examples/USER/eff/H2/in.h2

examples/USER/eff/H_plasma/in.h2bulk.npt

examples/USER/eff/H_plasma/in.h2bulk.nve

examples/USER/eff/H_plasma/in.h2bulk.nve.ang

examples/USER/eff/Li-dendritic/in.Li-dendritic.min

examples/USER/eff/Li-dendritic/in.Li-dendritic.nvt

examples/USER/eff/Li-solid/in.Li.ang

examples/USER/eff/Li-solid/in.Li.bohr

examples/USER/eff/fixed-core/C2H6/in.C2H6fc.ang

examples/USER/eff/fixed-core/C2H6/in.C2H6fc.bohr

examples/USER/eff/fixed-core/CH4/in.CH4fc.ang

examples/USER/eff/fixed-core/CH4/in.CH4fc.bohr

examples/USER/eff/fixed-core/CH4/in.CH4fc.spe.ang

examples/USER/eff/fixed-core/CH4/in.CH4fc.spe.bohr

examples/USER/misc/basal/in.basal

examples/comb/elastic.f90

examples/min/in.min.box

lib/README

lib/atc/ATC_Coupling.cpp

lib/atc/ATC_Coupling.h

lib/atc/ATC_CouplingEnergy.cpp

lib/atc/ATC_CouplingMomentumEnergy.cpp

lib/atc/ATC_Error.h

lib/atc/ATC_Method.cpp

lib/atc/ATC_Method.h

lib/atc/ATC_TypeDefs.h

lib/atc/AtomicRegulator.cpp

lib/atc/AtomicRegulator.h

lib/atc/CauchyBorn.h

lib/atc/ChargeRegulator.cpp

lib/atc/ChargeRegulator.h

lib/atc/DenseMatrix.h

lib/atc/DenseVector.h

lib/atc/DependencyManager.h

lib/atc/DiagonalMatrix.h

lib/atc/ElectronDragPower.cpp

lib/atc/ElectronFlux.h

lib/atc/ExtrinsicModelDriftDiffusion.cpp

lib/atc/ExtrinsicModelDriftDiffusion.h

lib/atc/ExtrinsicModelElectrostatic.cpp

lib/atc/ExtrinsicModelTwoTemperature.cpp

lib/atc/ExtrinsicModelTwoTemperature.h

lib/atc/FE_Element.cpp

lib/atc/FE_Element.h

lib/atc/FE_Engine.cpp

lib/atc/FE_Engine.h

lib/atc/FE_Mesh.cpp

lib/atc/FE_Mesh.h

lib/atc/FieldEulerIntegrator.cpp

lib/atc/FieldEulerIntegrator.h

lib/atc/FieldManager.cpp

lib/atc/Function.cpp

lib/atc/Function.h

lib/atc/FundamentalAtomicQuantity.h

lib/atc/GhostManager.cpp

lib/atc/GhostManager.h

lib/atc/ImplicitSolveOperator.cpp

lib/atc/ImplicitSolveOperator.h

lib/atc/KD_Tree.cpp

lib/atc/KernelFunction.cpp

lib/atc/KinetoThermostat.cpp

lib/atc/KinetoThermostat.h

lib/atc/Kinetostat.cpp

lib/atc/Kinetostat.h

lib/atc/LammpsInterface.cpp

lib/atc/LammpsInterface.h

lib/atc/LinearSolver.cpp

lib/atc/LinearSolver.h

lib/atc/MPI_Wrappers.cpp

lib/atc/MPI_Wrappers.h

lib/atc/Makefile.mingw32-cross

lib/atc/Makefile.mingw32-cross-mpi

lib/atc/Makefile.mingw64-cross

lib/atc/Makefile.mingw64-cross-mpi

lib/atc/Makefile.mpic++

lib/atc/Makefile.serial

lib/atc/Material.cpp

lib/atc/Matrix.h

lib/atc/MeshReader.cpp

lib/atc/MeshReader.h

lib/atc/MoleculeSet.cpp

lib/atc/MoleculeSet.h

lib/atc/OutputManager.cpp

lib/atc/OutputManager.h

lib/atc/PerAtomQuantity.h

lib/atc/PerAtomQuantityLibrary.cpp

lib/atc/PerAtomQuantityLibrary.h

lib/atc/PoissonSolver.cpp

lib/atc/PrescribedDataManager.cpp

lib/atc/PrescribedDataManager.h

lib/atc/SchrodingerSolver.cpp

lib/atc/SchrodingerSolver.h

lib/atc/SparseMatrix-inl.h

lib/atc/Thermostat.cpp

lib/atc/Thermostat.h

lib/atc/TimeIntegrator.h

lib/atc/TransferLibrary.cpp

lib/atc/TransferLibrary.h

lib/atc/Utility.h

lib/atc/Vector.h

lib/atc/WeakEquationElectronContinuity.cpp

lib/atc/WeakEquationElectronContinuity.h

lib/atc/WeakEquationElectronMomentum.cpp

lib/atc/WeakEquationElectronTemperature.cpp

lib/atc/WeakEquationElectronTemperature.h

lib/colvars/Makefile.fermi

lib/colvars/Makefile.g++

lib/colvars/Makefile.mingw32-cross

lib/colvars/Makefile.mingw64-cross

lib/colvars/colvar.cpp

lib/colvars/colvar.h

lib/colvars/colvaratoms.cpp

lib/colvars/colvaratoms.h

lib/colvars/colvarbias.cpp

lib/colvars/colvarbias.h

lib/colvars/colvarbias_abf.cpp

lib/colvars/colvarbias_abf.h

lib/colvars/colvarbias_meta.cpp

lib/colvars/colvarbias_meta.h

lib/colvars/colvarcomp.cpp

lib/colvars/colvarcomp.h

lib/colvars/colvarcomp_angles.cpp

lib/colvars/colvarcomp_coordnums.cpp

lib/colvars/colvarcomp_distances.cpp

lib/colvars/colvarcomp_protein.cpp

lib/colvars/colvarcomp_rotations.cpp

lib/colvars/colvargrid.cpp

lib/colvars/colvargrid.h

lib/colvars/colvarmodule.cpp

lib/colvars/colvarmodule.h

lib/colvars/colvarparse.cpp

lib/colvars/colvarparse.h

lib/colvars/colvarproxy.h

lib/colvars/colvartypes.h

lib/colvars/colvarvalue.cpp

lib/colvars/colvarvalue.h

lib/cuda/Makefile.defaults

lib/cuda/Makefile.lammps

lib/cuda/atom_vec_cuda.cu

lib/cuda/atom_vec_cuda_kernel.cu

lib/cuda/comm_cuda.cu

lib/cuda/comm_cuda_kernel.cu

lib/cuda/compute_temp_cuda.cu

lib/cuda/compute_temp_cuda_cu.h

lib/cuda/compute_temp_cuda_kernel.cu

lib/cuda/compute_temp_partial_cuda.cu

lib/cuda/compute_temp_partial_cuda_cu.h

lib/cuda/compute_temp_partial_cuda_kernel.cu

lib/cuda/crm_cuda_utils.cu

lib/cuda/cuda.cu

lib/cuda/cuda_common.h

lib/cuda/cuda_pair.cu

lib/cuda/cuda_pair_kernel.cu

lib/cuda/cuda_pair_virial_kernel_nc.cu

lib/cuda/cuda_precision.h

lib/cuda/cuda_shared.h

lib/cuda/cuda_wrapper.cu

lib/cuda/cuda_wrapper_cu.h

lib/cuda/domain.cu

lib/cuda/domain_kernel.cu

lib/cuda/fft3d_cuda.cu

lib/cuda/fft3d_cuda_cu.h

lib/cuda/fft3d_cuda_kernel.cu

lib/cuda/fix_addforce_cuda.cu

lib/cuda/fix_addforce_cuda_cu.h

lib/cuda/fix_addforce_cuda_kernel.cu

lib/cuda/fix_aveforce_cuda.cu

lib/cuda/fix_aveforce_cuda_cu.h

lib/cuda/fix_aveforce_cuda_kernel.cu

lib/cuda/fix_enforce2d_cuda.cu

lib/cuda/fix_freeze_cuda.cu

lib/cuda/fix_freeze_cuda_cu.h

lib/cuda/fix_freeze_cuda_kernel.cu

lib/cuda/fix_gravity_cuda.cu

lib/cuda/fix_gravity_cuda_cu.h

lib/cuda/fix_gravity_cuda_kernel.cu

lib/cuda/fix_nh_cuda.cu

lib/cuda/fix_nh_cuda_cu.h

lib/cuda/fix_nh_cuda_kernel.cu

lib/cuda/fix_nve_cuda.cu

lib/cuda/fix_nve_cuda_cu.h

lib/cuda/fix_nve_cuda_kernel.cu

lib/cuda/fix_set_force_cuda.cu

lib/cuda/fix_set_force_cuda_cu.h

lib/cuda/fix_set_force_cuda_kernel.cu

lib/cuda/fix_shake_cuda.cu

lib/cuda/fix_shake_cuda_cu.h

lib/cuda/fix_shake_cuda_kernel.cu

lib/cuda/fix_temp_berendsen_cuda.cu

lib/cuda/fix_temp_berendsen_cuda_kernel.cu

lib/cuda/fix_temp_rescale_cuda.cu

lib/cuda/fix_temp_rescale_cuda_kernel.cu

lib/cuda/fix_temp_rescale_limit_cuda.cu

lib/cuda/fix_temp_rescale_limit_cuda_kernel.cu

lib/cuda/fix_viscous_cuda.cu

lib/cuda/fix_viscous_cuda_kernel.cu

lib/cuda/neighbor.cu

lib/cuda/neighbor_kernel.cu

lib/cuda/pair_born_coul_long_cuda.cu

lib/cuda/pair_born_coul_long_cuda_kernel_nc.cu

lib/cuda/pair_buck_coul_cut_cuda.cu

lib/cuda/pair_buck_coul_long_cuda.cu

lib/cuda/pair_buck_cuda.cu

lib/cuda/pair_buck_cuda_kernel_nc.cu

lib/cuda/pair_eam_cuda.cu

lib/cuda/pair_eam_cuda_kernel_nc.cu

lib/cuda/pair_gran_hooke_cuda.cu

lib/cuda/pair_gran_hooke_cuda_kernel_nc.cu

lib/cuda/pair_lj96_cut_cuda.cu

lib/cuda/pair_lj96_cut_cuda_kernel_nc.cu

lib/cuda/pair_lj_charmm_coul_charmm_cuda.cu

lib/cuda/pair_lj_charmm_coul_charmm_cuda_cu.h

lib/cuda/pair_lj_charmm_coul_charmm_cuda_kernel_nc.cu

lib/cuda/pair_lj_charmm_coul_charmm_implicit_cuda.cu

lib/cuda/pair_lj_charmm_coul_charmm_implicit_cuda_cu.h

lib/cuda/pair_lj_charmm_coul_charmm_implicit_cuda_kernel_nc.cu

lib/cuda/pair_lj_charmm_coul_long_cuda.cu

lib/cuda/pair_lj_charmm_coul_long_cuda_cu.h

lib/cuda/pair_lj_class2_coul_cut_cuda.cu

lib/cuda/pair_lj_class2_coul_long_cuda.cu

lib/cuda/pair_lj_class2_cuda.cu

lib/cuda/pair_lj_class2_cuda_kernel_nc.cu

lib/cuda/pair_lj_cut_coul_cut_cuda.cu

lib/cuda/pair_lj_cut_coul_debye_cuda.cu

lib/cuda/pair_lj_cut_coul_long_cuda.cu

lib/cuda/pair_lj_cut_cuda.cu

lib/cuda/pair_lj_cut_cuda_kernel_nc.cu

lib/cuda/pair_lj_cut_experimental_cuda.cu

lib/cuda/pair_lj_expand_cuda.cu

lib/cuda/pair_lj_expand_cuda_kernel_nc.cu

lib/cuda/pair_lj_gromacs_coul_gromacs_cuda.cu

lib/cuda/pair_lj_gromacs_coul_gromacs_cuda_cu.h

lib/cuda/pair_lj_gromacs_coul_gromacs_cuda_kernel_nc.cu

lib/cuda/pair_lj_gromacs_cuda.cu

lib/cuda/pair_lj_gromacs_cuda_kernel_nc.cu

lib/cuda/pair_lj_sdk_coul_cut_cuda.cu

lib/cuda/pair_lj_sdk_coul_debye_cuda.cu

lib/cuda/pair_lj_sdk_coul_long_cuda.cu

lib/cuda/pair_lj_sdk_cuda.cu

lib/cuda/pair_lj_sdk_cuda_kernel_nc.cu

lib/cuda/pair_lj_smooth_cuda.cu

lib/cuda/pair_lj_smooth_cuda_kernel_nc.cu

lib/cuda/pair_morse_coul_long_cuda.cu

lib/cuda/pair_morse_coul_long_cuda_kernel_nc.cu

lib/cuda/pair_morse_cuda.cu

lib/cuda/pair_morse_cuda_kernel_nc.cu

lib/cuda/pair_sw_cuda.cu

lib/cuda/pair_sw_cuda_cu.h

lib/cuda/pair_sw_cuda_kernel_nc.cu

lib/cuda/pair_tersoff_cuda.cu

lib/cuda/pair_tersoff_cuda_cu.h

lib/cuda/pair_tersoff_cuda_kernel_nc.cu

lib/cuda/pppm_cuda.cu

lib/cuda/pppm_cuda_cu.h

lib/cuda/pppm_cuda_kernel.cu

lib/gpu/Makefile.linux.double

lib/gpu/Makefile.linux.mixed

lib/gpu/Nvidia.makefile

lib/gpu/Opencl.makefile

lib/gpu/geryon/VERSION.txt

lib/gpu/geryon/nvd_device.h

lib/gpu/geryon/nvd_macros.h

lib/gpu/geryon/ocl_device.h

lib/gpu/geryon/ocl_macros.h

lib/gpu/geryon/ocl_memory.h

lib/gpu/lal_answer.cpp

lib/gpu/lal_aux_fun1.h

lib/gpu/lal_base_ellipsoid.cpp

lib/gpu/lal_beck.cu

lib/gpu/lal_beck_ext.cpp

lib/gpu/lal_born.cpp

lib/gpu/lal_born.cu

lib/gpu/lal_born.h

lib/gpu/lal_born_coul_long.cu

lib/gpu/lal_born_coul_long_ext.cpp

lib/gpu/lal_born_coul_wolf.cu

lib/gpu/lal_born_coul_wolf_ext.cpp

lib/gpu/lal_born_ext.cpp

lib/gpu/lal_buck.cpp

lib/gpu/lal_buck.cu

lib/gpu/lal_buck.h

lib/gpu/lal_buck_coul.cu

lib/gpu/lal_buck_coul_ext.cpp

lib/gpu/lal_buck_coul_long.cu

lib/gpu/lal_buck_coul_long_ext.cpp

lib/gpu/lal_buck_ext.cpp

lib/gpu/lal_cg_cmm.cu

lib/gpu/lal_cg_cmm_ext.cpp

lib/gpu/lal_cg_cmm_long.cu

lib/gpu/lal_cg_cmm_long_ext.cpp

lib/gpu/lal_charmm_long.cpp

lib/gpu/lal_charmm_long.cu

lib/gpu/lal_charmm_long_ext.cpp

lib/gpu/lal_colloid.cu

lib/gpu/lal_colloid_ext.cpp

lib/gpu/lal_coul_dsf.cu

lib/gpu/lal_coul_dsf_ext.cpp

lib/gpu/lal_coul_long.cpp

lib/gpu/lal_coul_long.cu

lib/gpu/lal_coul_long.h

lib/gpu/lal_coul_long_ext.cpp

lib/gpu/lal_device.cpp

lib/gpu/lal_device.h

lib/gpu/lal_dipole_lj.cu

lib/gpu/lal_dipole_lj_ext.cpp

lib/gpu/lal_dipole_lj_sf.cu

lib/gpu/lal_dipole_lj_sf_ext.cpp

lib/gpu/lal_dpd.cu

lib/gpu/lal_eam.cu

lib/gpu/lal_eam_ext.cpp

lib/gpu/lal_ellipsoid_extra.h

lib/gpu/lal_ellipsoid_nbor.cu

lib/gpu/lal_gauss.cpp

lib/gpu/lal_gauss.cu

lib/gpu/lal_gauss.h

lib/gpu/lal_gauss_ext.cpp

lib/gpu/lal_gayberne.cu

lib/gpu/lal_gayberne_ext.cpp

lib/gpu/lal_gayberne_lj.cu

lib/gpu/lal_lj.cpp

lib/gpu/lal_lj.cu

lib/gpu/lal_lj.h

lib/gpu/lal_lj96.cu

lib/gpu/lal_lj96_ext.cpp

lib/gpu/lal_lj_class2_long.cu

lib/gpu/lal_lj_class2_long_ext.cpp

lib/gpu/lal_lj_coul.cu

lib/gpu/lal_lj_coul_debye.cu

lib/gpu/lal_lj_coul_debye_ext.cpp

lib/gpu/lal_lj_coul_ext.cpp

lib/gpu/lal_lj_coul_long.cpp

lib/gpu/lal_lj_coul_long.cu

lib/gpu/lal_lj_coul_long.h

lib/gpu/lal_lj_coul_long_ext.cpp

lib/gpu/lal_lj_coul_msm.cu

lib/gpu/lal_lj_coul_msm_ext.cpp

lib/gpu/lal_lj_dsf.cu

lib/gpu/lal_lj_dsf_ext.cpp

lib/gpu/lal_lj_expand.cpp

lib/gpu/lal_lj_expand.cu

lib/gpu/lal_lj_expand.h

lib/gpu/lal_lj_expand_ext.cpp

lib/gpu/lal_lj_ext.cpp

lib/gpu/lal_lj_gromacs.cu

lib/gpu/lal_mie.cu

lib/gpu/lal_mie_ext.cpp

lib/gpu/lal_morse.cu

lib/gpu/lal_morse_ext.cpp

lib/gpu/lal_neighbor.cpp

lib/gpu/lal_neighbor.h

lib/gpu/lal_neighbor_cpu.cu

lib/gpu/lal_pppm.cpp

lib/gpu/lal_pppm.cu

lib/gpu/lal_pppm_ext.cpp

lib/gpu/lal_preprocessor.h

lib/gpu/lal_re_squared.cu

lib/gpu/lal_re_squared_ext.cpp

lib/gpu/lal_re_squared_lj.cu

lib/gpu/lal_soft.cpp

lib/gpu/lal_soft.cu

lib/gpu/lal_soft.h

lib/gpu/lal_soft_ext.cpp

lib/gpu/lal_sw.cu

lib/gpu/lal_table.cu

lib/gpu/lal_table_ext.cpp

lib/gpu/lal_yukawa.cu

lib/gpu/lal_yukawa_colloid.cu

lib/gpu/lal_yukawa_colloid_ext.cpp

lib/gpu/lal_yukawa_ext.cpp

lib/linalg/Makefile.gfortran

lib/linalg/Makefile.mingw32-cross

lib/linalg/Makefile.mingw64-cross

lib/reax/Makefile.lammps.ifort

potentials/Ag_u3.eam

potentials/AlCu.adp

potentials/AlCu.eam.alloy

potentials/AlFe_mm.eam.fs

potentials/AlSiMgCuFe.meam

potentials/Al_jnp.eam

potentials/Al_mm.eam.fs

potentials/Al_zhou.eam.alloy

potentials/Au_u3.eam

potentials/BNC.tersoff

potentials/C.lcbop

potentials/CH.airebo

potentials/CdTe.bop

potentials/CdTe.bop.table

potentials/CdTe.sw

potentials/CoAl.eam.alloy

potentials/Cu.meam

potentials/CuZr_mm.eam.fs

potentials/Cu_mishin1.eam.alloy

potentials/Cu_smf7.eam

potentials/Cu_u3.eam

potentials/Cu_u6.eam

potentials/Cu_zhou.eam.alloy

potentials/FeCr.cdeam

potentials/FeP_mm.eam.fs

potentials/Fe_mm.eam.fs

potentials/GaAs.bop

potentials/GaAs.bop.table

potentials/GaN.sw

potentials/GaN.tersoff

potentials/MOH.nb3b.harmonic

potentials/Mg_mm.eam.fs

potentials/Ni.adp

potentials/Ni.meam

potentials/NiAlH_jea.eam.alloy

potentials/NiAlH_jea.eam.fs

potentials/Ni_smf7.eam

potentials/Ni_u3.eam

potentials/Pd_u3.eam

potentials/Pt_u3.eam

potentials/README

potentials/Si.b.meam.sw.spline

potentials/Si.edip

potentials/Si.sw

potentials/Si.tersoff

potentials/Si.tersoff.mod

potentials/SiC.meam

potentials/SiC.tersoff

potentials/SiC.tersoff.zbl

potentials/SiCGe.tersoff

potentials/SiC_1989.tersoff

potentials/SiC_1990.tersoff

potentials/SiC_1994.tersoff

potentials/SiC_Erhart-Albe.tersoff

potentials/SiO.tersoff

potentials/Si_1.meam.spline

potentials/Si_2.meam.spline

potentials/Ti.meam.spline

potentials/Ti.meam.sw.spline

potentials/VFe_mm.eam.fs

potentials/W_zhou.eam.alloy

potentials/Zr_mm.eam.fs

potentials/ffield.comb

potentials/ffield.comb3

potentials/ffield.eim

potentials/ffield.reax.AB

potentials/ffield.reax.AuO

potentials/ffield.reax.FC

potentials/ffield.reax.Fe_O_C_H

potentials/ffield.reax.V_O_C_H

potentials/ffield.reax.ZnOH

potentials/ffield.reax.budzien

potentials/ffield.reax.cho

potentials/ffield.reax.lg

potentials/ffield.reax.mattsson

potentials/ffield.reax.rdx

potentials/lib.comb3

potentials/library.meam

python/README

python/lammps.py

src/ASPHERE/compute_erotate_asphere.h

src/ASPHERE/compute_temp_asphere.cpp

src/ASPHERE/compute_temp_asphere.h

src/ASPHERE/fix_nh_asphere.h

src/ASPHERE/fix_nph_asphere.h

src/ASPHERE/fix_npt_asphere.h

src/ASPHERE/fix_nve_asphere.h

src/ASPHERE/fix_nve_asphere_noforce.h

src/ASPHERE/fix_nve_line.h

src/ASPHERE/fix_nve_tri.h

src/ASPHERE/fix_nvt_asphere.h

src/ASPHERE/pair_gayberne.cpp

src/ASPHERE/pair_gayberne.h

src/ASPHERE/pair_line_lj.cpp

src/ASPHERE/pair_line_lj.h

src/ASPHERE/pair_resquared.cpp

src/ASPHERE/pair_resquared.h

src/ASPHERE/pair_tri_lj.cpp

src/ASPHERE/pair_tri_lj.h

src/BODY/body_nparticle.h

src/BODY/compute_body_local.h

src/BODY/fix_nve_body.h

src/BODY/pair_body.cpp

src/BODY/pair_body.h

src/CLASS2/angle_class2.h

src/CLASS2/bond_class2.h

src/CLASS2/pair_lj_class2_coul_cut.cpp

src/CLASS2/pair_lj_class2_coul_long.cpp

src/COLLOID/fix_wall_colloid.h

src/COLLOID/pair_colloid.h

src/COLLOID/pair_yukawa_colloid.cpp

src/COLLOID/pair_yukawa_colloid.h

src/DIPOLE/atom_vec_dipole.h

src/DIPOLE/pair_lj_cut_dipole_cut.cpp

src/DIPOLE/pair_lj_cut_dipole_cut.h

src/DIPOLE/pair_lj_cut_dipole_long.cpp

src/DIPOLE/pair_lj_cut_dipole_long.h

src/DIPOLE/pair_lj_long_dipole_long.cpp

src/Depend.sh

src/FLD/pair_brownian.cpp

src/FLD/pair_brownian.h

src/FLD/pair_brownian_poly.cpp

src/FLD/pair_brownian_poly.h

src/FLD/pair_lubricate.cpp

src/FLD/pair_lubricate.h

src/FLD/pair_lubricateU.cpp

src/FLD/pair_lubricateU.h

src/FLD/pair_lubricateU_poly.cpp

src/FLD/pair_lubricateU_poly.h

src/FLD/pair_lubricate_poly.cpp

src/FLD/pair_lubricate_poly.h

src/GPU/Install.sh

src/GPU/fix_gpu.cpp

src/GPU/fix_gpu.h

src/GPU/pair_beck_gpu.cpp

src/GPU/pair_beck_gpu.h

src/GPU/pair_born_coul_long_gpu.cpp

src/GPU/pair_born_coul_long_gpu.h

src/GPU/pair_born_coul_wolf_gpu.cpp

src/GPU/pair_born_coul_wolf_gpu.h

src/GPU/pair_born_gpu.cpp

src/GPU/pair_born_gpu.h

src/GPU/pair_buck_coul_cut_gpu.cpp

src/GPU/pair_buck_coul_cut_gpu.h

src/GPU/pair_buck_coul_long_gpu.cpp

src/GPU/pair_buck_coul_long_gpu.h

src/GPU/pair_buck_gpu.cpp

src/GPU/pair_buck_gpu.h

src/GPU/pair_colloid_gpu.cpp

src/GPU/pair_colloid_gpu.h

src/GPU/pair_coul_dsf_gpu.cpp

src/GPU/pair_coul_dsf_gpu.h

src/GPU/pair_coul_long_gpu.cpp

src/GPU/pair_coul_long_gpu.h

src/GPU/pair_dpd_gpu.cpp

src/GPU/pair_dpd_gpu.h

src/GPU/pair_dpd_tstat_gpu.cpp

src/GPU/pair_dpd_tstat_gpu.h

src/GPU/pair_eam_alloy_gpu.h

src/GPU/pair_eam_fs_gpu.h

src/GPU/pair_eam_gpu.cpp

src/GPU/pair_eam_gpu.h

src/GPU/pair_gauss_gpu.cpp

src/GPU/pair_gauss_gpu.h

src/GPU/pair_gayberne_gpu.cpp

src/GPU/pair_gayberne_gpu.h

src/GPU/pair_lj96_cut_gpu.cpp

src/GPU/pair_lj96_cut_gpu.h

src/GPU/pair_lj_charmm_coul_long_gpu.cpp

src/GPU/pair_lj_charmm_coul_long_gpu.h

src/GPU/pair_lj_class2_coul_long_gpu.cpp

src/GPU/pair_lj_class2_coul_long_gpu.h

src/GPU/pair_lj_class2_gpu.cpp

src/GPU/pair_lj_class2_gpu.h

src/GPU/pair_lj_cut_coul_cut_gpu.cpp

src/GPU/pair_lj_cut_coul_cut_gpu.h

src/GPU/pair_lj_cut_coul_debye_gpu.cpp

src/GPU/pair_lj_cut_coul_debye_gpu.h

src/GPU/pair_lj_cut_coul_dsf_gpu.cpp

src/GPU/pair_lj_cut_coul_dsf_gpu.h

src/GPU/pair_lj_cut_coul_long_gpu.cpp

src/GPU/pair_lj_cut_coul_long_gpu.h

src/GPU/pair_lj_cut_coul_msm_gpu.cpp

src/GPU/pair_lj_cut_coul_msm_gpu.h

src/GPU/pair_lj_cut_dipole_cut_gpu.cpp

src/GPU/pair_lj_cut_dipole_cut_gpu.h

src/GPU/pair_lj_cut_gpu.cpp

src/GPU/pair_lj_cut_gpu.h

src/GPU/pair_lj_expand_gpu.cpp

src/GPU/pair_lj_expand_gpu.h

src/GPU/pair_lj_gromacs_gpu.cpp

src/GPU/pair_lj_gromacs_gpu.h

src/GPU/pair_lj_sdk_coul_long_gpu.cpp

src/GPU/pair_lj_sdk_gpu.cpp

src/GPU/pair_lj_sf_dipole_sf_gpu.cpp

src/GPU/pair_lj_sf_dipole_sf_gpu.h

src/GPU/pair_mie_cut_gpu.cpp

src/GPU/pair_mie_cut_gpu.h

src/GPU/pair_morse_gpu.cpp

src/GPU/pair_morse_gpu.h

src/GPU/pair_resquared_gpu.cpp

src/GPU/pair_resquared_gpu.h

src/GPU/pair_soft_gpu.cpp

src/GPU/pair_soft_gpu.h

src/GPU/pair_sw_gpu.cpp

src/GPU/pair_sw_gpu.h

src/GPU/pair_table_gpu.cpp

src/GPU/pair_table_gpu.h

src/GPU/pair_yukawa_colloid_gpu.cpp

src/GPU/pair_yukawa_colloid_gpu.h

src/GPU/pair_yukawa_gpu.cpp

src/GPU/pair_yukawa_gpu.h

src/GPU/pppm_gpu.cpp

src/GPU/pppm_gpu.h

src/GRANULAR/fix_freeze.h

src/GRANULAR/fix_pour.cpp

src/GRANULAR/fix_pour.h

src/GRANULAR/fix_wall_gran.h

src/GRANULAR/pair_gran_hertz_history.cpp

src/GRANULAR/pair_gran_hertz_history.h

src/GRANULAR/pair_gran_hooke.h

src/GRANULAR/pair_gran_hooke_history.cpp

src/GRANULAR/pair_gran_hooke_history.h

src/KIM/Install.sh

src/KIM/pair_kim.cpp

src/KIM/pair_kim.h

src/KSPACE/ewald.cpp

src/KSPACE/ewald.h

src/KSPACE/ewald_disp.cpp

src/KSPACE/ewald_disp.h

src/KSPACE/fix_tune_kspace.cpp

src/KSPACE/fix_tune_kspace.h

src/KSPACE/gridcomm.cpp

src/KSPACE/gridcomm.h

src/KSPACE/msm.cpp

src/KSPACE/msm_cg.cpp

src/KSPACE/pair_born_coul_long.cpp

src/KSPACE/pair_born_coul_long.h

src/KSPACE/pair_born_coul_msm.h

src/KSPACE/pair_buck_coul_long.cpp

src/KSPACE/pair_buck_coul_long.h

src/KSPACE/pair_buck_coul_msm.h

src/KSPACE/pair_buck_long_coul_long.cpp

src/KSPACE/pair_coul_long.cpp

src/KSPACE/pair_coul_msm.h

src/KSPACE/pair_lj_charmm_coul_long.cpp

src/KSPACE/pair_lj_charmm_coul_msm.h

src/KSPACE/pair_lj_cut_coul_long.cpp

src/KSPACE/pair_lj_cut_coul_long.h

src/KSPACE/pair_lj_cut_coul_msm.h

src/KSPACE/pair_lj_cut_tip4p_long.cpp

src/KSPACE/pair_lj_cut_tip4p_long.h

src/KSPACE/pair_lj_long_coul_long.cpp

src/KSPACE/pair_lj_long_tip4p_long.cpp

src/KSPACE/pair_lj_long_tip4p_long.h

src/KSPACE/pair_tip4p_long.h

src/KSPACE/pppm.cpp

src/KSPACE/pppm_cg.cpp

src/KSPACE/pppm_disp.cpp

src/KSPACE/pppm_disp.h

src/KSPACE/pppm_disp_tip4p.cpp

src/KSPACE/pppm_disp_tip4p.h

src/KSPACE/pppm_stagger.cpp

src/KSPACE/pppm_tip4p.cpp

src/KSPACE/pppm_tip4p.h

src/KSPACE/remap.cpp

src/MAKE/Makefile.serial

src/MANYBODY/fix_qeq_comb.cpp

src/MANYBODY/fix_qeq_comb.h

src/MANYBODY/pair_adp.cpp

src/MANYBODY/pair_adp.h

src/MANYBODY/pair_airebo.cpp

src/MANYBODY/pair_airebo.h

src/MANYBODY/pair_bop.cpp

src/MANYBODY/pair_bop.h

src/MANYBODY/pair_comb.cpp

src/MANYBODY/pair_comb.h

src/MANYBODY/pair_comb3.cpp

src/MANYBODY/pair_comb3.h

src/MANYBODY/pair_eam.cpp

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src/USER-SPH/fix_meso_stationary.h

src/USER-SPH/pair_sph_heatconduction.h

src/USER-SPH/pair_sph_idealgas.h

src/USER-SPH/pair_sph_lj.h

src/USER-SPH/pair_sph_rhosum.cpp

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src/atom_masks.h

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src/compute_coord_atom.cpp

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src/compute_erotate_sphere.h

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src/compute_vacf.cpp

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doc/dihedral_helix.txt

doc/dihedral_hybrid.html

doc/dihedral_hybrid.txt

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doc/dihedral_multi_harmonic.txt

doc/dihedral_nharmonic.html

doc/dihedral_nharmonic.txt

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doc/dihedral_opls.txt

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doc/dihedral_quadratic.txt

doc/dihedral_style.html

doc/dihedral_style.txt

doc/dihedral_table.html

doc/dihedral_table.txt

doc/dump_image.html

doc/dump_image.txt

doc/dump_modify.html

doc/dump_modify.txt

doc/fix_adapt.html

doc/fix_adapt.txt

doc/fix_adapt_fep.html

doc/fix_adapt_fep.txt

doc/fix_addforce.html

doc/fix_addforce.txt

doc/fix_atom_swap.html

doc/fix_atom_swap.txt

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doc/fix_ave_chunk.txt

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doc/fix_ave_spatial.txt

doc/fix_ave_spatial_sphere.html

doc/fix_ave_spatial_sphere.txt

doc/fix_balance.html

doc/fix_balance.txt

doc/fix_bond_create.html

doc/fix_bond_create.txt

doc/fix_bond_swap.html

doc/fix_bond_swap.txt

doc/fix_box_relax.html

doc/fix_box_relax.txt

doc/fix_deposit.html

doc/fix_deposit.txt

doc/fix_freeze.html

doc/fix_freeze.txt

doc/fix_gcmc.html

doc/fix_gcmc.txt

doc/fix_gle.html

doc/fix_gle.txt

doc/fix_gravity.html

doc/fix_gravity.txt

doc/fix_ipi.html

doc/fix_ipi.txt

doc/fix_langevin.html

doc/fix_langevin.txt

doc/fix_move.html

doc/fix_move.txt

doc/fix_nh.html

doc/fix_nph_asphere.html

doc/fix_nph_asphere.txt

doc/fix_nph_sphere.html

doc/fix_nph_sphere.txt

doc/fix_nphug.html

doc/fix_nphug.txt

doc/fix_npt_asphere.html

doc/fix_npt_asphere.txt

doc/fix_npt_sphere.html

doc/fix_npt_sphere.txt

doc/fix_nve.html

doc/fix_nve.txt

doc/fix_nve_sphere.html

doc/fix_nve_sphere.txt

doc/fix_nvt_asphere.html

doc/fix_nvt_asphere.txt

doc/fix_nvt_sllod.html

doc/fix_nvt_sllod.txt

doc/fix_nvt_sphere.html

doc/fix_nvt_sphere.txt

doc/fix_oneway.html

doc/fix_oneway.txt

doc/fix_phonon.html

doc/fix_phonon.txt

doc/fix_pimd.html

doc/fix_pimd.txt

doc/fix_qeq.html

doc/fix_qeq.txt

doc/fix_qeq_comb.html

doc/fix_qeq_comb.txt

doc/fix_qeq_reax.html

doc/fix_qeq_reax.txt

doc/fix_rigid.html

doc/fix_rigid.txt

doc/fix_shake.html

doc/fix_shake.txt

doc/fix_store_state.html

doc/fix_store_state.txt

doc/fix_temp_berendsen.html

doc/fix_temp_berendsen.txt

doc/fix_tfmc.html

doc/fix_tfmc.txt

doc/fix_ttm.html

doc/fix_ttm.txt

doc/fix_vector.html

doc/fix_vector.txt

doc/fix_wall.html

doc/fix_wall.txt

doc/fix_wall_piston.html

doc/fix_wall_piston.txt

doc/fix_wall_region.html

doc/fix_wall_region.txt

doc/improper_class2.html

doc/improper_class2.txt

doc/improper_cossq.html

doc/improper_cossq.txt

doc/improper_cvff.html

doc/improper_cvff.txt

doc/improper_fourier.html

doc/improper_fourier.txt

doc/improper_harmonic.html

doc/improper_harmonic.txt

doc/improper_hybrid.html

doc/improper_hybrid.txt

doc/improper_ring.html

doc/improper_ring.txt

doc/improper_style.html

doc/improper_style.txt

doc/improper_umbrella.html

doc/improper_umbrella.txt

doc/kspace_modify.html

doc/kspace_modify.txt

doc/kspace_style.html

doc/kspace_style.txt

doc/lattice.html

doc/lattice.txt

doc/min_modify.html

doc/min_modify.txt

doc/minimize.html

doc/minimize.txt

doc/molecule.html

doc/molecule.txt

doc/neigh_modify.html

doc/neigh_modify.txt

doc/package.html

doc/package.txt

doc/pair_adp.html

doc/pair_adp.txt

doc/pair_airebo.html

doc/pair_airebo.txt

doc/pair_beck.html

doc/pair_beck.txt

doc/pair_born.html

doc/pair_born.txt

doc/pair_brownian.html

doc/pair_brownian.txt

doc/pair_buck.html

doc/pair_buck.txt

doc/pair_buck_long.html

doc/pair_buck_long.txt

doc/pair_charmm.html

doc/pair_charmm.txt

doc/pair_class2.html

doc/pair_class2.txt

doc/pair_colloid.html

doc/pair_colloid.txt

doc/pair_comb.html

doc/pair_comb.txt

doc/pair_coul.html

doc/pair_coul.txt

doc/pair_cs.html

doc/pair_cs.txt

doc/pair_dipole.html

doc/pair_dipole.txt

doc/pair_dpd.html

doc/pair_dpd.txt

doc/pair_eam.html

doc/pair_eam.txt

doc/pair_edip.html

doc/pair_edip.txt

doc/pair_eff.html

doc/pair_eff.txt

doc/pair_eim.html

doc/pair_eim.txt

doc/pair_gauss.html

doc/pair_gauss.txt

doc/pair_gayberne.html

doc/pair_gayberne.txt

doc/pair_gran.html

doc/pair_gran.txt

doc/pair_gromacs.html

doc/pair_gromacs.txt

doc/pair_hbond_dreiding.html

doc/pair_hbond_dreiding.txt

doc/pair_hybrid.html

doc/pair_hybrid.txt

doc/pair_kim.html

doc/pair_kim.txt

doc/pair_line_lj.html

doc/pair_line_lj.txt

doc/pair_lj.html

doc/pair_lj.txt

doc/pair_lj96.html

doc/pair_lj96.txt

doc/pair_lj_cubic.html

doc/pair_lj_cubic.txt

doc/pair_lj_expand.html

doc/pair_lj_expand.txt

doc/pair_lj_long.html

doc/pair_lj_long.txt

doc/pair_lj_sf.html

doc/pair_lj_sf.txt

doc/pair_lj_smooth.html

doc/pair_lj_smooth.txt

doc/pair_lj_smooth_linear.html

doc/pair_lj_smooth_linear.txt

doc/pair_lj_soft.html

doc/pair_lj_soft.txt

doc/pair_lubricate.html

doc/pair_lubricate.txt

doc/pair_meam_spline.html

doc/pair_meam_spline.txt

doc/pair_modify.html

doc/pair_modify.txt

doc/pair_morse.html

doc/pair_morse.txt

doc/pair_nb3b_harmonic.html

doc/pair_nb3b_harmonic.txt

doc/pair_nm.html

doc/pair_nm.txt

doc/pair_peri.html

doc/pair_peri.txt

doc/pair_quip.html

doc/pair_quip.txt

doc/pair_resquared.html

doc/pair_resquared.txt

doc/pair_sdk.html

doc/pair_sdk.txt

doc/pair_snap.html

doc/pair_snap.txt

doc/pair_soft.html

doc/pair_soft.txt

doc/pair_srp.html

doc/pair_srp.txt

doc/pair_style.html

doc/pair_style.txt

doc/pair_sw.html

doc/pair_sw.txt

doc/pair_table.html

doc/pair_table.txt

doc/pair_tersoff.html

doc/pair_tersoff.txt

doc/pair_tersoff_mod.html

doc/pair_tersoff_mod.txt

doc/pair_tersoff_zbl.html

doc/pair_tersoff_zbl.txt

doc/pair_tri_lj.html

doc/pair_tri_lj.txt

doc/pair_yukawa.html

doc/pair_yukawa.txt

doc/pair_yukawa_colloid.html

doc/pair_yukawa_colloid.txt

doc/pair_zbl.html

doc/pair_zbl.txt

doc/processors.html

doc/processors.txt

doc/read_data.html

doc/read_data.txt

doc/read_dump.html

doc/read_dump.txt

doc/read_restart.html

doc/read_restart.txt

doc/special_bonds.html

doc/special_bonds.txt

doc/suffix.html

doc/thermo_style.html

doc/thermo_style.txt

doc/variable.html

doc/variable.txt

doc/velocity.html

doc/velocity.txt

examples/ASPHERE/box/in.box

examples/ASPHERE/box/in.box.mp

examples/ASPHERE/dimer/in.dimer

examples/ASPHERE/dimer/in.dimer.mp

examples/ASPHERE/ellipsoid/in.ellipsoid

examples/ASPHERE/ellipsoid/in.ellipsoid.mp

examples/ASPHERE/line/in.line.srd

examples/ASPHERE/poly/in.poly

examples/ASPHERE/poly/in.poly.mp

examples/ASPHERE/star/in.star

examples/ASPHERE/star/in.star.mp

examples/ASPHERE/tri/in.tri.srd

examples/COUPLE/lammps_quest/lmpqst.cpp

examples/COUPLE/simple/README

examples/COUPLE/simple/in.lj

examples/COUPLE/simple/simple.c

examples/COUPLE/simple/simple.cpp

examples/COUPLE/simple/simple.f90

examples/KAPPA/README

examples/MC/README

examples/MC/in.mc

examples/MC/log.mc.6Jun14

examples/README

examples/USER/atc/hardy/consistency.screen

examples/USER/atc/hardy/eam_kernel_convergence.screen

examples/USER/atc/hardy/eam_unistrain_cell.screen

examples/USER/atc/hardy/eam_unistrain_mesh.screen

examples/USER/atc/hardy/eam_unistrain_qcylinder.screen

examples/USER/atc/hardy/eam_unistrain_qsphere.screen

examples/USER/atc/hardy/eam_unistrain_step.screen

examples/USER/atc/hardy/eam_volume_stretch.screen

examples/USER/atc/hardy/eshelby_static.screen

examples/USER/atc/hardy/nvt.screen

examples/USER/cuda/

examples/USER/cuda/data.phosphate

examples/USER/cuda/data.rhodo

examples/USER/cuda/in.melt_2.5.cuda

examples/USER/cuda/in.melt_5.0.cuda

examples/USER/cuda/in.phosphate.cuda

examples/USER/cuda/in.rhodo.cuda

examples/USER/eff/Auger-Adamantane/in.adamantane_ionized.nve

examples/USER/eff/Be-solid/in.Be-solid.spe

examples/USER/eff/CH4/in.ch4.dynamics

examples/USER/eff/CH4/in.ch4.min

examples/USER/eff/CH4/in.ch4_ionized.dynamics

examples/USER/eff/ECP/Si2H6/in.Si2H6

examples/USER/eff/ECP/Si2H6/in.Si2H6.ang

examples/USER/eff/ECP/SiC/bulk/in.SiC

examples/USER/eff/ECP/SiH4/in.SiH4

examples/USER/eff/ECP/SiH4/in.SiH4.ang

examples/USER/eff/H/in.h_atom.spe.ang

examples/USER/eff/H/in.h_atom.spe.bohr

examples/USER/eff/H2/in.h2

examples/USER/eff/H_plasma/in.h2bulk.npt

examples/USER/eff/H_plasma/in.h2bulk.nve

examples/USER/eff/H_plasma/in.h2bulk.nve.ang

examples/USER/eff/Li-dendritic/in.Li-dendritic.min

examples/USER/eff/Li-dendritic/in.Li-dendritic.nvt

examples/USER/eff/Li-solid/in.Li.ang

examples/USER/eff/Li-solid/in.Li.bohr

examples/USER/eff/fixed-core/C2H6/in.C2H6fc.ang

examples/USER/eff/fixed-core/C2H6/in.C2H6fc.bohr

examples/USER/eff/fixed-core/CH4/in.CH4fc.ang

examples/USER/eff/fixed-core/CH4/in.CH4fc.bohr

examples/USER/eff/fixed-core/CH4/in.CH4fc.spe.ang

examples/USER/eff/fixed-core/CH4/in.CH4fc.spe.bohr

examples/USER/gle/

examples/USER/gle/data.h2o-quantum

examples/USER/gle/data.h2o-smart

examples/USER/gle/in.h2o-quantum

examples/USER/gle/in.h2o-smart

examples/USER/gle/log.h2o-quantum

examples/USER/gle/log.h2o-smart

examples/USER/gle/qt-300k.A

examples/USER/gle/qt-300k.C

examples/USER/gle/smart.A

examples/USER/i-pi/

examples/USER/i-pi/C.opt.tersoff

examples/USER/i-pi/README

examples/USER/i-pi/data.graphene

examples/USER/i-pi/i-pi_input.xml

examples/USER/i-pi/i-pi_positions.xyz

examples/USER/i-pi/in.graphene

examples/USER/misc/basal/in.basal

examples/USER/pimd/

examples/USER/pimd/para-h2/

examples/USER/pimd/para-h2/H2.data

examples/USER/pimd/para-h2/H2.xyz

examples/USER/pimd/para-h2/NM.info

examples/USER/pimd/para-h2/in.scp

examples/USER/pimd/para-h2/pair.table

examples/USER/pimd/para-h2/run.sh

examples/USER/pimd/para-h2/vmd.src

examples/USER/pimd/prot-hairpin/

examples/USER/pimd/prot-hairpin/in.scp

examples/USER/pimd/prot-hairpin/run.sh

examples/USER/pimd/prot-hairpin/system.data

examples/USER/quip/

examples/USER/quip/data_gap

examples/USER/quip/data_sw

examples/USER/quip/gap_example.xml

examples/USER/quip/gap_example_sparse.dat

examples/USER/quip/in.gap

examples/USER/quip/in.sw

examples/USER/quip/sw_example.xml

examples/USER/srp/

examples/USER/srp/data.chain

examples/USER/srp/in.srp

examples/accelerate/

examples/accelerate/Make.list

examples/accelerate/README

examples/accelerate/data.phosphate

examples/accelerate/in.lc

examples/accelerate/in.lj

examples/accelerate/in.lj.5.0

examples/accelerate/in.phosphate

examples/accelerate/in.rhodo

examples/accelerate/log.lj.1Feb14.gpu.1

examples/accelerate/log.lj.1Feb14.gpu.4

examples/accelerate/log.lj.1Feb14.kokkos.cuda.1

examples/accelerate/log.lj.1Feb14.kokkos.cuda.2

examples/accelerate/log.lj.1Feb14.kokkos.omp.1

examples/accelerate/log.lj.1Feb14.kokkos.omp.4

examples/accelerate/log.lj.5.0.1Feb14.gpu.1

examples/accelerate/log.lj.5.0.1Feb14.gpu.4

examples/accelerate/log.phosphate.1Feb14.gpu.1

examples/accelerate/log.phosphate.1Feb14.gpu.4

examples/accelerate/log.rhodo.1Feb14.gpu.1

examples/accelerate/log.rhodo.1Feb14.gpu.4

examples/balance/

examples/balance/in.balance

examples/balance/in.balance.bond.fast

examples/balance/in.balance.bond.slow

examples/balance/log.balance.8Aug14.linux.1

examples/balance/log.balance.8Aug14.linux.4

examples/balance/log.balance.bond.fast.21Jan15.linux.1

examples/balance/log.balance.bond.fast.21Jan15.linux.4

examples/balance/log.balance.bond.slow.21Jan15.linux.1

examples/balance/log.balance.bond.slow.21Jan15.linux.4

examples/comb/elastic.f90

examples/coreshell/

examples/coreshell/data.coreshell

examples/coreshell/in.coreshell

examples/coreshell/log.coreshell.6Mar15.linux.1

examples/coreshell/log.coreshell.6Mar15.linux.4

examples/gpu/data.phosphate

examples/gpu/data.rhodo

examples/gpu/in.gpu.melt.2.5

examples/gpu/in.gpu.melt.5.0

examples/gpu/in.gpu.phosphate

examples/gpu/in.gpu.rhodo

examples/gpu/log.gpu.melt.2.5.1Feb14.linux.1

examples/gpu/log.gpu.melt.2.5.1Feb14.linux.4

examples/gpu/log.gpu.melt.5.0.1Feb14.linux.1

examples/gpu/log.gpu.melt.5.0.1Feb14.linux.4

examples/gpu/log.gpu.phosphate.1Feb14.linux.1

examples/gpu/log.gpu.phosphate.1Feb14.linux.4

examples/gpu/log.gpu.rhodo.1Feb14.linux.1

examples/gpu/log.gpu.rhodo.1Feb14.linux.4

examples/kim/log.kim.lj.27Jul14.ubuntu.1

examples/kim/log.kim.lj.27Jul14.ubuntu.4

examples/kim/log.kim.lj.lmp.27Jul14.ubuntu.1

examples/kim/log.kim.lj.lmp.27Jul14.ubuntu.4

examples/min/in.min.box

examples/qeq/data.CHO

examples/qeq/data.aC

examples/qeq/ffield.reax.cho

examples/qeq/in.qeq.buck

examples/qeq/in.qeq.reaxc

examples/qeq/log.qeq.buck.8Sep14.linux.1

examples/qeq/log.qeq.buck.8Sep14.linux.4

examples/qeq/log.qeq.reaxc.8Sep14.linux.1

examples/qeq/log.qeq.reaxc.8Sep14.linux.4

examples/qeq/param.qeq.reax

examples/qeq/param.qeq1

examples/qeq/param.qeq2

examples/snap/Ta06A.snapcoeff

examples/snap/Ta06A.snapparam

examples/snap/Ta06A_pot.snap

examples/snap/in.snap

examples/snap/log.snap.5Sep14.linux.1

examples/snap/log.snap.5Sep14.linux.4

examples/streitz/

examples/streitz/AlO.eam.alloy

examples/streitz/AlO.streitz

examples/streitz/data.streitz

examples/streitz/in.streitz.ewald

examples/streitz/in.streitz.wolf

examples/streitz/log.streitz.ewald.19Feb15.linux.1

examples/streitz/log.streitz.ewald.19Feb15.linux.4

examples/streitz/log.streitz.wolf.19Feb15.linux.1

examples/streitz/log.streitz.wolf.19Feb15.linux.4

lib/atc/ATC_Coupling.cpp

lib/atc/ATC_Coupling.h

lib/atc/ATC_CouplingEnergy.cpp

lib/atc/ATC_CouplingMomentumEnergy.cpp

lib/atc/ATC_Error.h

lib/atc/ATC_Method.cpp

lib/atc/ATC_Method.h

lib/atc/ATC_TypeDefs.h

lib/atc/AtomicRegulator.cpp

lib/atc/AtomicRegulator.h

lib/atc/CauchyBorn.h

lib/atc/ChargeRegulator.cpp

lib/atc/ChargeRegulator.h

lib/atc/DenseMatrix.h

lib/atc/DenseVector.h

lib/atc/DependencyManager.h

lib/atc/DiagonalMatrix.h

lib/atc/ElectronDragPower.cpp

lib/atc/ElectronFlux.h

lib/atc/ExtrinsicModelDriftDiffusion.cpp

lib/atc/ExtrinsicModelDriftDiffusion.h

lib/atc/ExtrinsicModelElectrostatic.cpp

lib/atc/ExtrinsicModelTwoTemperature.cpp

lib/atc/ExtrinsicModelTwoTemperature.h

lib/atc/FE_Element.cpp

lib/atc/FE_Element.h

lib/atc/FE_Engine.cpp

lib/atc/FE_Engine.h

lib/atc/FE_Mesh.cpp

lib/atc/FE_Mesh.h

lib/atc/FieldEulerIntegrator.cpp

lib/atc/FieldEulerIntegrator.h

lib/atc/FieldManager.cpp

lib/atc/Function.cpp

lib/atc/Function.h

lib/atc/FundamentalAtomicQuantity.h

lib/atc/GhostManager.cpp

lib/atc/GhostManager.h

lib/atc/ImplicitSolveOperator.cpp

lib/atc/ImplicitSolveOperator.h

lib/atc/KD_Tree.cpp

lib/atc/KernelFunction.cpp

lib/atc/KinetoThermostat.cpp

lib/atc/KinetoThermostat.h

lib/atc/Kinetostat.cpp

lib/atc/Kinetostat.h

lib/atc/LammpsInterface.cpp

lib/atc/LammpsInterface.h

lib/atc/LinearSolver.cpp

lib/atc/LinearSolver.h

lib/atc/MPI_Wrappers.cpp

lib/atc/MPI_Wrappers.h

lib/atc/Makefile.mingw32-cross

lib/atc/Makefile.mingw32-cross-mpi

lib/atc/Makefile.mingw64-cross

lib/atc/Makefile.mingw64-cross-mpi

lib/atc/Makefile.mpic++

lib/atc/Makefile.serial

lib/atc/Material.cpp

lib/atc/Matrix.h

lib/atc/MeshReader.cpp

lib/atc/MeshReader.h

lib/atc/MoleculeSet.cpp

lib/atc/MoleculeSet.h

lib/atc/OutputManager.cpp

lib/atc/OutputManager.h

lib/atc/POEMSChain.h

lib/atc/PerAtomQuantity.h

lib/atc/PerAtomQuantityLibrary.cpp

lib/atc/PerAtomQuantityLibrary.h

lib/atc/PoissonSolver.cpp

lib/atc/PrescribedDataManager.cpp

lib/atc/PrescribedDataManager.h

lib/atc/SchrodingerSolver.cpp

lib/atc/SchrodingerSolver.h

lib/atc/SparseMatrix-inl.h

lib/atc/SystemProcessor.h

lib/atc/Thermostat.cpp

lib/atc/Thermostat.h

lib/atc/TimeIntegrator.h

lib/atc/TransferLibrary.cpp

lib/atc/TransferLibrary.h

lib/atc/Utility.h

lib/atc/Vector.h

lib/atc/WeakEquationElectronContinuity.cpp

lib/atc/WeakEquationElectronContinuity.h

lib/atc/WeakEquationElectronMomentum.cpp

lib/atc/WeakEquationElectronTemperature.cpp

lib/atc/WeakEquationElectronTemperature.h

lib/awpmd/Makefile.mpicc

lib/awpmd/Makefile.openmpi

lib/colvars/Makefile.fermi

lib/colvars/Makefile.g++

lib/colvars/Makefile.mingw32-cross

lib/colvars/Makefile.mingw64-cross

lib/colvars/colvar.cpp

lib/colvars/colvar.h

lib/colvars/colvaratoms.cpp

lib/colvars/colvaratoms.h

lib/colvars/colvarbias.cpp

lib/colvars/colvarbias.h

lib/colvars/colvarbias_abf.cpp

lib/colvars/colvarbias_abf.h

lib/colvars/colvarbias_alb.cpp

lib/colvars/colvarbias_alb.h

lib/colvars/colvarbias_meta.cpp

lib/colvars/colvarbias_meta.h

lib/colvars/colvarbias_restraint.cpp

lib/colvars/colvarbias_restraint.h

lib/colvars/colvarcomp.cpp

lib/colvars/colvarcomp.h

lib/colvars/colvarcomp_angles.cpp

lib/colvars/colvarcomp_coordnums.cpp

lib/colvars/colvarcomp_distances.cpp

lib/colvars/colvarcomp_protein.cpp

lib/colvars/colvarcomp_rotations.cpp

lib/colvars/colvargrid.cpp

lib/colvars/colvargrid.h

lib/colvars/colvarmodule.cpp

lib/colvars/colvarmodule.h

lib/colvars/colvarparse.cpp

lib/colvars/colvarparse.h

lib/colvars/colvarproxy.h

lib/colvars/colvarscript.cpp

lib/colvars/colvarscript.h

lib/colvars/colvartypes.cpp

lib/colvars/colvartypes.h

lib/colvars/colvarvalue.cpp

lib/colvars/colvarvalue.h

lib/cuda/Makefile.defaults

lib/cuda/Makefile.lammps

lib/cuda/atom_vec_cuda.cu

lib/cuda/atom_vec_cuda_kernel.cu

lib/cuda/comm_cuda.cu

lib/cuda/comm_cuda_kernel.cu

lib/cuda/compute_temp_cuda.cu

lib/cuda/compute_temp_cuda_cu.h

lib/cuda/compute_temp_cuda_kernel.cu

lib/cuda/compute_temp_partial_cuda.cu

lib/cuda/compute_temp_partial_cuda_cu.h

lib/cuda/compute_temp_partial_cuda_kernel.cu

lib/cuda/crm_cuda_utils.cu

lib/cuda/cuda.cu

lib/cuda/cuda_common.h

lib/cuda/cuda_pair.cu

lib/cuda/cuda_pair_kernel.cu

lib/cuda/cuda_pair_virial_kernel_nc.cu

lib/cuda/cuda_precision.h

lib/cuda/cuda_shared.h

lib/cuda/cuda_wrapper.cu

lib/cuda/cuda_wrapper_cu.h

lib/cuda/domain.cu

lib/cuda/domain_kernel.cu

lib/cuda/fft3d_cuda.cu

lib/cuda/fft3d_cuda_cu.h

lib/cuda/fft3d_cuda_kernel.cu

lib/cuda/fix_addforce_cuda.cu

lib/cuda/fix_addforce_cuda_cu.h

lib/cuda/fix_addforce_cuda_kernel.cu

lib/cuda/fix_aveforce_cuda.cu

lib/cuda/fix_aveforce_cuda_cu.h

lib/cuda/fix_aveforce_cuda_kernel.cu

lib/cuda/fix_enforce2d_cuda.cu

lib/cuda/fix_freeze_cuda.cu

lib/cuda/fix_freeze_cuda_cu.h

lib/cuda/fix_freeze_cuda_kernel.cu

lib/cuda/fix_gravity_cuda.cu

lib/cuda/fix_gravity_cuda_cu.h

lib/cuda/fix_gravity_cuda_kernel.cu

lib/cuda/fix_nh_cuda.cu

lib/cuda/fix_nh_cuda_cu.h

lib/cuda/fix_nh_cuda_kernel.cu

lib/cuda/fix_nve_cuda.cu

lib/cuda/fix_nve_cuda_cu.h

lib/cuda/fix_nve_cuda_kernel.cu

lib/cuda/fix_set_force_cuda.cu

lib/cuda/fix_set_force_cuda_cu.h

lib/cuda/fix_set_force_cuda_kernel.cu

lib/cuda/fix_shake_cuda.cu

lib/cuda/fix_shake_cuda_cu.h

lib/cuda/fix_shake_cuda_kernel.cu

lib/cuda/fix_temp_berendsen_cuda.cu

lib/cuda/fix_temp_berendsen_cuda_kernel.cu

lib/cuda/fix_temp_rescale_cuda.cu

lib/cuda/fix_temp_rescale_cuda_kernel.cu

lib/cuda/fix_temp_rescale_limit_cuda.cu

lib/cuda/fix_temp_rescale_limit_cuda_kernel.cu

lib/cuda/fix_viscous_cuda.cu

lib/cuda/fix_viscous_cuda_kernel.cu

lib/cuda/neighbor.cu

lib/cuda/neighbor_kernel.cu

lib/cuda/pair_born_coul_long_cuda.cu

lib/cuda/pair_born_coul_long_cuda_kernel_nc.cu

lib/cuda/pair_buck_coul_cut_cuda.cu

lib/cuda/pair_buck_coul_long_cuda.cu

lib/cuda/pair_buck_cuda.cu

lib/cuda/pair_buck_cuda_kernel_nc.cu

lib/cuda/pair_cg_cmm_coul_cut_cuda.cu

lib/cuda/pair_cg_cmm_coul_cut_cuda_cu.h

lib/cuda/pair_cg_cmm_coul_debye_cuda.cu

lib/cuda/pair_cg_cmm_coul_debye_cuda_cu.h

lib/cuda/pair_cg_cmm_coul_long_cuda.cu

lib/cuda/pair_cg_cmm_coul_long_cuda_cu.h

lib/cuda/pair_cg_cmm_cuda.cu

lib/cuda/pair_cg_cmm_cuda_cu.h

lib/cuda/pair_cg_cmm_cuda_kernel_nc.cu

lib/cuda/pair_eam_cuda.cu

lib/cuda/pair_eam_cuda_kernel_nc.cu

lib/cuda/pair_gran_hooke_cuda.cu

lib/cuda/pair_gran_hooke_cuda_kernel_nc.cu

lib/cuda/pair_lj96_cut_cuda.cu

lib/cuda/pair_lj96_cut_cuda_kernel_nc.cu

lib/cuda/pair_lj_charmm_coul_charmm_cuda.cu

lib/cuda/pair_lj_charmm_coul_charmm_cuda_cu.h

lib/cuda/pair_lj_charmm_coul_charmm_cuda_kernel_nc.cu

lib/cuda/pair_lj_charmm_coul_charmm_implicit_cuda.cu

lib/cuda/pair_lj_charmm_coul_charmm_implicit_cuda_cu.h

lib/cuda/pair_lj_charmm_coul_charmm_implicit_cuda_kernel_nc.cu

lib/cuda/pair_lj_charmm_coul_long_cuda.cu

lib/cuda/pair_lj_charmm_coul_long_cuda_cu.h

lib/cuda/pair_lj_class2_coul_cut_cuda.cu

lib/cuda/pair_lj_class2_coul_long_cuda.cu

lib/cuda/pair_lj_class2_cuda.cu

lib/cuda/pair_lj_class2_cuda_kernel_nc.cu

lib/cuda/pair_lj_cut_coul_cut_cuda.cu

lib/cuda/pair_lj_cut_coul_debye_cuda.cu

lib/cuda/pair_lj_cut_coul_long_cuda.cu

lib/cuda/pair_lj_cut_cuda.cu

lib/cuda/pair_lj_cut_cuda_kernel_nc.cu

lib/cuda/pair_lj_cut_experimental_cuda.cu

lib/cuda/pair_lj_expand_cuda.cu

lib/cuda/pair_lj_expand_cuda_kernel_nc.cu

lib/cuda/pair_lj_gromacs_coul_gromacs_cuda.cu

lib/cuda/pair_lj_gromacs_coul_gromacs_cuda_cu.h

lib/cuda/pair_lj_gromacs_coul_gromacs_cuda_kernel_nc.cu

lib/cuda/pair_lj_gromacs_cuda.cu

lib/cuda/pair_lj_gromacs_cuda_kernel_nc.cu

lib/cuda/pair_lj_sdk_coul_cut_cuda.cu

lib/cuda/pair_lj_sdk_coul_debye_cuda.cu

lib/cuda/pair_lj_sdk_coul_long_cuda.cu

lib/cuda/pair_lj_sdk_cuda.cu

lib/cuda/pair_lj_sdk_cuda_kernel_nc.cu

lib/cuda/pair_lj_smooth_cuda.cu

lib/cuda/pair_lj_smooth_cuda_kernel_nc.cu

lib/cuda/pair_morse_coul_long_cuda.cu

lib/cuda/pair_morse_coul_long_cuda_kernel_nc.cu

lib/cuda/pair_morse_cuda.cu

lib/cuda/pair_morse_cuda_kernel_nc.cu

lib/cuda/pair_sw_cuda.cu

lib/cuda/pair_sw_cuda_cu.h

lib/cuda/pair_sw_cuda_kernel_nc.cu

lib/cuda/pair_tersoff_cuda.cu

lib/cuda/pair_tersoff_cuda_cu.h

lib/cuda/pair_tersoff_cuda_kernel_nc.cu

lib/cuda/pppm_cuda.cu

lib/cuda/pppm_cuda_cu.h

lib/cuda/pppm_cuda_kernel.cu

lib/gpu/Makefile.linux.double

lib/gpu/Makefile.linux.mixed

lib/gpu/Makefile.linux.single

lib/gpu/Nvidia.makefile

lib/gpu/Opencl.makefile

lib/gpu/geryon/VERSION.txt

lib/gpu/geryon/nvd_device.h

lib/gpu/geryon/nvd_macros.h

lib/gpu/geryon/ocl_device.h

lib/gpu/geryon/ocl_macros.h

lib/gpu/geryon/ocl_memory.h

lib/gpu/lal_answer.cpp

lib/gpu/lal_aux_fun1.h

lib/gpu/lal_base_ellipsoid.cpp

lib/gpu/lal_beck.cu

lib/gpu/lal_beck_ext.cpp

lib/gpu/lal_born.cpp

lib/gpu/lal_born.cu

lib/gpu/lal_born.h

lib/gpu/lal_born_coul_long.cu

lib/gpu/lal_born_coul_long_ext.cpp

lib/gpu/lal_born_coul_wolf.cu

lib/gpu/lal_born_coul_wolf_ext.cpp

lib/gpu/lal_born_ext.cpp

lib/gpu/lal_buck.cpp

lib/gpu/lal_buck.cu

lib/gpu/lal_buck.h

lib/gpu/lal_buck_coul.cu

lib/gpu/lal_buck_coul_ext.cpp

lib/gpu/lal_buck_coul_long.cu

lib/gpu/lal_buck_coul_long_ext.cpp

lib/gpu/lal_buck_ext.cpp

lib/gpu/lal_cg_cmm.cu

lib/gpu/lal_cg_cmm_ext.cpp

lib/gpu/lal_cg_cmm_long.cu

lib/gpu/lal_cg_cmm_long_ext.cpp

lib/gpu/lal_charmm_long.cpp

lib/gpu/lal_charmm_long.cu

lib/gpu/lal_charmm_long_ext.cpp

lib/gpu/lal_colloid.cu

lib/gpu/lal_colloid_ext.cpp

lib/gpu/lal_coul.cpp

lib/gpu/lal_coul.cu

lib/gpu/lal_coul.h

lib/gpu/lal_coul_debye.cpp

lib/gpu/lal_coul_debye.cu

lib/gpu/lal_coul_debye.h

lib/gpu/lal_coul_debye_ext.cpp

lib/gpu/lal_coul_dsf.cu

lib/gpu/lal_coul_dsf_ext.cpp

lib/gpu/lal_coul_ext.cpp

lib/gpu/lal_coul_long.cpp

lib/gpu/lal_coul_long.cu

lib/gpu/lal_coul_long.h

lib/gpu/lal_coul_long_ext.cpp

lib/gpu/lal_device.cpp

lib/gpu/lal_device.h

lib/gpu/lal_dipole_lj.cu

lib/gpu/lal_dipole_lj_ext.cpp

lib/gpu/lal_dipole_lj_sf.cu

lib/gpu/lal_dipole_lj_sf_ext.cpp

lib/gpu/lal_dpd.cu

lib/gpu/lal_eam.cu

lib/gpu/lal_eam_ext.cpp

lib/gpu/lal_ellipsoid_extra.h

lib/gpu/lal_ellipsoid_nbor.cu

lib/gpu/lal_gauss.cpp

lib/gpu/lal_gauss.cu

lib/gpu/lal_gauss.h

lib/gpu/lal_gauss_ext.cpp

lib/gpu/lal_gayberne.cu

lib/gpu/lal_gayberne_ext.cpp

lib/gpu/lal_gayberne_lj.cu

lib/gpu/lal_lj.cpp

lib/gpu/lal_lj.cu

lib/gpu/lal_lj.h

lib/gpu/lal_lj96.cu

lib/gpu/lal_lj96_ext.cpp

lib/gpu/lal_lj_class2_long.cu

lib/gpu/lal_lj_class2_long_ext.cpp

lib/gpu/lal_lj_coul.cu

lib/gpu/lal_lj_coul_debye.cu

lib/gpu/lal_lj_coul_debye_ext.cpp

lib/gpu/lal_lj_coul_ext.cpp

lib/gpu/lal_lj_coul_long.cpp

lib/gpu/lal_lj_coul_long.cu

lib/gpu/lal_lj_coul_long.h

lib/gpu/lal_lj_coul_long_ext.cpp

lib/gpu/lal_lj_coul_msm.cu

lib/gpu/lal_lj_coul_msm_ext.cpp

lib/gpu/lal_lj_dsf.cu

lib/gpu/lal_lj_dsf_ext.cpp

lib/gpu/lal_lj_expand.cpp

lib/gpu/lal_lj_expand.cu

lib/gpu/lal_lj_expand.h

lib/gpu/lal_lj_expand_ext.cpp

lib/gpu/lal_lj_ext.cpp

lib/gpu/lal_lj_gromacs.cu

lib/gpu/lal_mie.cu

lib/gpu/lal_mie_ext.cpp

lib/gpu/lal_morse.cu

lib/gpu/lal_morse_ext.cpp

lib/gpu/lal_neighbor.cpp

lib/gpu/lal_neighbor.h

lib/gpu/lal_neighbor_cpu.cu

lib/gpu/lal_pppm.cpp

lib/gpu/lal_pppm.cu

lib/gpu/lal_pppm_ext.cpp

lib/gpu/lal_preprocessor.h

lib/gpu/lal_re_squared.cu

lib/gpu/lal_re_squared_ext.cpp

lib/gpu/lal_re_squared_lj.cu

lib/gpu/lal_soft.cpp

lib/gpu/lal_soft.cu

lib/gpu/lal_soft.h

lib/gpu/lal_soft_ext.cpp

lib/gpu/lal_sw.cu

lib/gpu/lal_table.cu

lib/gpu/lal_table_ext.cpp

lib/gpu/lal_yukawa.cu

lib/gpu/lal_yukawa_colloid.cu

lib/gpu/lal_yukawa_colloid_ext.cpp

lib/gpu/lal_yukawa_ext.cpp

lib/kim/Makefile.lammps

lib/kokkos/Makefile.lammps

lib/kokkos/README

lib/kokkos/TPL/

lib/kokkos/TPL/KokkosTPL_dummy.cpp

lib/kokkos/TPL/cmake/

lib/kokkos/TPL/cmake/Dependencies.cmake

lib/kokkos/TPL/cub/

lib/kokkos/TPL/cub/block/

lib/kokkos/TPL/cub/block/block_discontinuity.cuh

lib/kokkos/TPL/cub/block/block_exchange.cuh

lib/kokkos/TPL/cub/block/block_histogram.cuh

lib/kokkos/TPL/cub/block/block_load.cuh

lib/kokkos/TPL/cub/block/block_radix_rank.cuh

lib/kokkos/TPL/cub/block/block_radix_sort.cuh

lib/kokkos/TPL/cub/block/block_raking_layout.cuh

lib/kokkos/TPL/cub/block/block_reduce.cuh

lib/kokkos/TPL/cub/block/block_scan.cuh

lib/kokkos/TPL/cub/block/block_store.cuh

lib/kokkos/TPL/cub/block/specializations/

lib/kokkos/TPL/cub/block/specializations/block_histogram_atomic.cuh

lib/kokkos/TPL/cub/block/specializations/block_histogram_sort.cuh

lib/kokkos/TPL/cub/block/specializations/block_reduce_raking.cuh

lib/kokkos/TPL/cub/block/specializations/block_reduce_warp_reductions.cuh

lib/kokkos/TPL/cub/block/specializations/block_scan_raking.cuh

lib/kokkos/TPL/cub/block/specializations/block_scan_warp_scans.cuh

lib/kokkos/TPL/cub/cub.cuh

lib/kokkos/TPL/cub/device/

lib/kokkos/TPL/cub/device/block/

lib/kokkos/TPL/cub/device/block/block_histo_tiles.cuh

lib/kokkos/TPL/cub/device/block/block_partition_tiles.cuh

lib/kokkos/TPL/cub/device/block/block_radix_sort_downsweep_tiles.cuh

lib/kokkos/TPL/cub/device/block/block_radix_sort_upsweep_tiles.cuh

lib/kokkos/TPL/cub/device/block/block_reduce_by_key_tiles.cuh

lib/kokkos/TPL/cub/device/block/block_reduce_tiles.cuh

lib/kokkos/TPL/cub/device/block/block_scan_tiles.cuh

lib/kokkos/TPL/cub/device/block/scan_tiles_types.cuh

lib/kokkos/TPL/cub/device/block/specializations/

lib/kokkos/TPL/cub/device/block/specializations/block_histo_tiles_gatomic.cuh

lib/kokkos/TPL/cub/device/block/specializations/block_histo_tiles_satomic.cuh

lib/kokkos/TPL/cub/device/block/specializations/block_histo_tiles_sort.cuh

lib/kokkos/TPL/cub/device/device_histogram.cuh

lib/kokkos/TPL/cub/device/device_radix_sort.cuh

lib/kokkos/TPL/cub/device/device_reduce.cuh

lib/kokkos/TPL/cub/device/device_reduce_by_key.cuh

lib/kokkos/TPL/cub/device/device_reorder.cuh

lib/kokkos/TPL/cub/device/device_scan.cuh

lib/kokkos/TPL/cub/grid/

lib/kokkos/TPL/cub/grid/grid_barrier.cuh

lib/kokkos/TPL/cub/grid/grid_even_share.cuh

lib/kokkos/TPL/cub/grid/grid_mapping.cuh

lib/kokkos/TPL/cub/grid/grid_queue.cuh

lib/kokkos/TPL/cub/host/

lib/kokkos/TPL/cub/host/spinlock.cuh

lib/kokkos/TPL/cub/thread/

lib/kokkos/TPL/cub/thread/thread_load.cuh

lib/kokkos/TPL/cub/thread/thread_operators.cuh

lib/kokkos/TPL/cub/thread/thread_reduce.cuh

lib/kokkos/TPL/cub/thread/thread_scan.cuh

lib/kokkos/TPL/cub/thread/thread_store.cuh

lib/kokkos/TPL/cub/util_allocator.cuh

lib/kokkos/TPL/cub/util_arch.cuh

lib/kokkos/TPL/cub/util_debug.cuh

lib/kokkos/TPL/cub/util_device.cuh

lib/kokkos/TPL/cub/util_iterator.cuh

lib/kokkos/TPL/cub/util_macro.cuh

lib/kokkos/TPL/cub/util_namespace.cuh

lib/kokkos/TPL/cub/util_ptx.cuh

lib/kokkos/TPL/cub/util_type.cuh

lib/kokkos/TPL/cub/util_vector.cuh

lib/kokkos/TPL/cub/warp/

lib/kokkos/TPL/cub/warp/specializations/

lib/kokkos/TPL/cub/warp/specializations/warp_reduce_shfl.cuh

lib/kokkos/TPL/cub/warp/specializations/warp_reduce_smem.cuh

lib/kokkos/TPL/cub/warp/specializations/warp_scan_shfl.cuh

lib/kokkos/TPL/cub/warp/specializations/warp_scan_smem.cuh

lib/kokkos/TPL/cub/warp/warp_reduce.cuh

lib/kokkos/TPL/cub/warp/warp_scan.cuh

lib/kokkos/algorithms/

lib/kokkos/algorithms/src/

lib/kokkos/algorithms/src/Kokkos_Random.hpp

lib/kokkos/algorithms/src/Kokkos_Sort.hpp

lib/kokkos/containers/

lib/kokkos/containers/src/

lib/kokkos/containers/src/Kokkos_Bitset.hpp

lib/kokkos/containers/src/Kokkos_DualView.hpp

lib/kokkos/containers/src/Kokkos_Functional.hpp

lib/kokkos/containers/src/Kokkos_SegmentedView.hpp

lib/kokkos/containers/src/Kokkos_StaticCrsGraph.hpp

lib/kokkos/containers/src/Kokkos_UnorderedMap.hpp

lib/kokkos/containers/src/Kokkos_Vector.hpp

lib/kokkos/containers/src/impl/

lib/kokkos/containers/src/impl/Kokkos_Bitset_impl.hpp

lib/kokkos/containers/src/impl/Kokkos_Functional_impl.hpp

lib/kokkos/containers/src/impl/Kokkos_StaticCrsGraph_factory.hpp

lib/kokkos/containers/src/impl/Kokkos_UnorderedMap_impl.cpp

lib/kokkos/containers/src/impl/Kokkos_UnorderedMap_impl.hpp

lib/kokkos/core/

lib/kokkos/core/src/

lib/kokkos/core/src/Cuda/

lib/kokkos/core/src/Cuda/Kokkos_CudaExec.hpp

lib/kokkos/core/src/Cuda/Kokkos_CudaSpace.cpp

lib/kokkos/core/src/Cuda/Kokkos_Cuda_Impl.cpp

lib/kokkos/core/src/Cuda/Kokkos_Cuda_Internal.hpp

lib/kokkos/core/src/Cuda/Kokkos_Cuda_Parallel.hpp

lib/kokkos/core/src/Cuda/Kokkos_Cuda_ReduceScan.hpp

lib/kokkos/core/src/Cuda/Kokkos_Cuda_Vectorization.hpp

lib/kokkos/core/src/Cuda/Kokkos_Cuda_View.hpp

lib/kokkos/core/src/Cuda/Kokkos_Cuda_abort.hpp

lib/kokkos/core/src/Kokkos_Atomic.hpp

lib/kokkos/core/src/Kokkos_Core.hpp

lib/kokkos/core/src/Kokkos_Core_fwd.hpp

lib/kokkos/core/src/Kokkos_CrsArray.hpp

lib/kokkos/core/src/Kokkos_Cuda.hpp

lib/kokkos/core/src/Kokkos_CudaSpace.hpp

lib/kokkos/core/src/Kokkos_CudaTypes.hpp

lib/kokkos/core/src/Kokkos_ExecPolicy.hpp

lib/kokkos/core/src/Kokkos_HostSpace.hpp

lib/kokkos/core/src/Kokkos_Layout.hpp

lib/kokkos/core/src/Kokkos_Macros.hpp

lib/kokkos/core/src/Kokkos_MemoryTraits.hpp

lib/kokkos/core/src/Kokkos_OpenMP.hpp

lib/kokkos/core/src/Kokkos_Pair.hpp

lib/kokkos/core/src/Kokkos_Parallel.hpp

lib/kokkos/core/src/Kokkos_Qthread.hpp

lib/kokkos/core/src/Kokkos_ScratchSpace.hpp

lib/kokkos/core/src/Kokkos_Serial.hpp

lib/kokkos/core/src/Kokkos_TaskPolicy.hpp

lib/kokkos/core/src/Kokkos_Threads.hpp

lib/kokkos/core/src/Kokkos_Vectorization.hpp

lib/kokkos/core/src/Kokkos_View.hpp

lib/kokkos/core/src/Kokkos_hwloc.hpp

lib/kokkos/core/src/OpenMP/

lib/kokkos/core/src/OpenMP/Kokkos_OpenMP_Parallel.hpp

lib/kokkos/core/src/OpenMP/Kokkos_OpenMPexec.cpp

lib/kokkos/core/src/OpenMP/Kokkos_OpenMPexec.hpp

lib/kokkos/core/src/Qthread/

lib/kokkos/core/src/Qthread/Kokkos_QthreadExec.cpp

lib/kokkos/core/src/Qthread/Kokkos_QthreadExec.hpp

lib/kokkos/core/src/Qthread/Kokkos_Qthread_Parallel.hpp

lib/kokkos/core/src/Qthread/Kokkos_Qthread_TaskPolicy.cpp

lib/kokkos/core/src/Qthread/Kokkos_Qthread_TaskPolicy.hpp

lib/kokkos/core/src/Threads/

lib/kokkos/core/src/Threads/Kokkos_ThreadsExec.cpp

lib/kokkos/core/src/Threads/Kokkos_ThreadsExec.hpp

lib/kokkos/core/src/Threads/Kokkos_ThreadsExec_base.cpp

lib/kokkos/core/src/Threads/Kokkos_Threads_Parallel.hpp

lib/kokkos/core/src/build.cuda.mac

lib/kokkos/core/src/build_common.sh

lib/kokkos/core/src/impl/

lib/kokkos/core/src/impl/Kokkos_AnalyzeShape.hpp

lib/kokkos/core/src/impl/Kokkos_Atomic_Assembly_X86.hpp

lib/kokkos/core/src/impl/Kokkos_Atomic_Compare_Exchange_Strong.hpp

lib/kokkos/core/src/impl/Kokkos_Atomic_Exchange.hpp

lib/kokkos/core/src/impl/Kokkos_Atomic_Fetch_Add.hpp

lib/kokkos/core/src/impl/Kokkos_Atomic_Fetch_And.hpp

lib/kokkos/core/src/impl/Kokkos_Atomic_Fetch_Or.hpp

lib/kokkos/core/src/impl/Kokkos_Atomic_Generic.hpp

lib/kokkos/core/src/impl/Kokkos_Atomic_View.hpp

lib/kokkos/core/src/impl/Kokkos_Core.cpp

lib/kokkos/core/src/impl/Kokkos_CrsArray_factory.hpp

lib/kokkos/core/src/impl/Kokkos_Error.cpp

lib/kokkos/core/src/impl/Kokkos_Error.hpp

lib/kokkos/core/src/impl/Kokkos_FunctorAdapter.hpp

lib/kokkos/core/src/impl/Kokkos_HostSpace.cpp

lib/kokkos/core/src/impl/Kokkos_MemoryTracking.hpp

lib/kokkos/core/src/impl/Kokkos_Memory_Fence.hpp

lib/kokkos/core/src/impl/Kokkos_PhysicalLayout.hpp

lib/kokkos/core/src/impl/Kokkos_Serial.cpp

lib/kokkos/core/src/impl/Kokkos_Serial_TaskPolicy.cpp

lib/kokkos/core/src/impl/Kokkos_Serial_TaskPolicy.hpp

lib/kokkos/core/src/impl/Kokkos_Shape.cpp

lib/kokkos/core/src/impl/Kokkos_Shape.hpp

lib/kokkos/core/src/impl/Kokkos_StaticAssert.hpp

lib/kokkos/core/src/impl/Kokkos_Tags.hpp

lib/kokkos/core/src/impl/Kokkos_Timer.hpp

lib/kokkos/core/src/impl/Kokkos_Traits.hpp

lib/kokkos/core/src/impl/Kokkos_ViewDefault.hpp

lib/kokkos/core/src/impl/Kokkos_ViewOffset.hpp

lib/kokkos/core/src/impl/Kokkos_ViewSupport.hpp

lib/kokkos/core/src/impl/Kokkos_ViewTileLeft.hpp

lib/kokkos/core/src/impl/Kokkos_Volatile_Load.hpp

lib/kokkos/core/src/impl/Kokkos_hwloc.cpp

lib/kokkos/core/src/impl/Kokkos_spinwait.cpp

lib/kokkos/core/src/impl/Kokkos_spinwait.hpp

lib/linalg/Makefile.gfortran

lib/linalg/Makefile.mingw32-cross

lib/linalg/Makefile.mingw64-cross

lib/linalg/dbdsqr.f

lib/linalg/dgebd2.f

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lib/linalg/dgelq2.f

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lib/linalg/dgesvd.f

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lib/linalg/dlascl.f

lib/linalg/dlaset.f

lib/linalg/dlasq1.f

lib/linalg/dlasq2.f

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lib/linalg/dlasr.f

lib/linalg/dlasrt.f

lib/linalg/dlasv2.f

lib/linalg/dlatrd.f

lib/linalg/dnrm2.f

lib/linalg/dorg2r.f

lib/linalg/dorgbr.f

lib/linalg/dorgl2.f

lib/linalg/dorglq.f

lib/linalg/dorgqr.f

lib/linalg/dorm2l.f

lib/linalg/dorm2r.f

lib/linalg/dormbr.f

lib/linalg/dorml2.f

lib/linalg/dormlq.f

lib/linalg/dormql.f

lib/linalg/dormqr.f

lib/linalg/dormtr.f

lib/linalg/dpotf2.f

lib/linalg/dpotrf.f

lib/linalg/drot.f

lib/linalg/dstedc.f

lib/linalg/dsteqr.f

lib/linalg/dsterf.f

lib/linalg/dsyevd.f

lib/linalg/dsygs2.f

lib/linalg/dsygst.f

lib/linalg/dsygvd.f

lib/linalg/dsymm.f

lib/linalg/dsymv.f

lib/linalg/dsyr2.f

lib/linalg/dsyr2k.f

lib/linalg/dsyrk.f

lib/linalg/dsytd2.f

lib/linalg/dsytrd.f

lib/linalg/iladlc.f

lib/linalg/iladlr.f

lib/molfile/Makefile.lammps

lib/molfile/README

lib/quip/Makefile.lammps

lib/quip/README

lib/reax/Makefile.lammps.ifort

lib/voronoi/Makefile.lammps

lib/voronoi/README

lib/voronoi/install.py

potentials/Ag_u3.eam

potentials/AlCu.adp

potentials/AlCu.eam.alloy

potentials/AlFe_mm.eam.fs

potentials/AlO.eam.alloy

potentials/AlO.streitz

potentials/AlSiMgCuFe.meam

potentials/Al_jnp.eam

potentials/Al_mm.eam.fs

potentials/Al_zhou.eam.alloy

potentials/Au_u3.eam

potentials/BNC.tersoff

potentials/C.lcbop

potentials/CH.airebo

potentials/CdTe.bop

potentials/CdTe.bop.table

potentials/CdTe.sw

potentials/CoAl.eam.alloy

potentials/Cu.meam

potentials/CuNi.eam.alloy

potentials/CuZr_mm.eam.fs

potentials/Cu_mishin1.eam.alloy

potentials/Cu_smf7.eam

potentials/Cu_u3.eam

potentials/Cu_u6.eam

potentials/Cu_zhou.eam.alloy

potentials/FeCr.cdeam

potentials/FeP_mm.eam.fs

potentials/Fe_mm.eam.fs

potentials/GaAs.bop

potentials/GaAs.bop.table

potentials/GaN.sw

potentials/GaN.tersoff

potentials/MOH.nb3b.harmonic

potentials/Mg_mm.eam.fs

potentials/Ni.adp

potentials/Ni.meam

potentials/NiAlH_jea.eam.alloy

potentials/NiAlH_jea.eam.fs

potentials/Ni_smf7.eam

potentials/Ni_u3.eam

potentials/Pd_u3.eam

potentials/Pt_u3.eam

potentials/README

potentials/Si.b.meam.sw.spline

potentials/Si.edip

potentials/Si.sw

potentials/Si.tersoff

potentials/Si.tersoff.mod

potentials/SiC.meam

potentials/SiC.tersoff

potentials/SiC.tersoff.zbl

potentials/SiCGe.tersoff

potentials/SiC_1989.tersoff

potentials/SiC_1990.tersoff

potentials/SiC_1994.tersoff

potentials/SiC_Erhart-Albe.tersoff

potentials/SiO.tersoff

potentials/Si_1.meam.spline

potentials/Si_2.meam.spline

potentials/Ta06A.snapcoeff

potentials/Ta06A.snapparam

potentials/Ta06A_pot.snap

potentials/Ti.meam.spline

potentials/Ti.meam.sw.spline

potentials/VFe_mm.eam.fs

potentials/W_zhou.eam.alloy

potentials/Zr_mm.eam.fs

potentials/ffield.comb

potentials/ffield.comb3

potentials/ffield.eim

potentials/ffield.reax.AB

potentials/ffield.reax.AuO

potentials/ffield.reax.FC

potentials/ffield.reax.Fe_O_C_H

potentials/ffield.reax.V_O_C_H

potentials/ffield.reax.ZnOH

potentials/ffield.reax.budzien

potentials/ffield.reax.cho

potentials/ffield.reax.lg

potentials/ffield.reax.mattsson

potentials/ffield.reax.rdx

potentials/lib.comb3

potentials/library.meam

python/examples/in.mc

python/examples/mc.py

python/lammps.py

src/ASPHERE/compute_erotate_asphere.h

src/ASPHERE/compute_temp_asphere.cpp

src/ASPHERE/compute_temp_asphere.h

src/ASPHERE/fix_nh_asphere.h

src/ASPHERE/fix_nph_asphere.h

src/ASPHERE/fix_npt_asphere.h

src/ASPHERE/fix_nve_asphere.h

src/ASPHERE/fix_nve_asphere_noforce.h

src/ASPHERE/fix_nve_line.h

src/ASPHERE/fix_nve_tri.h

src/ASPHERE/fix_nvt_asphere.h

src/ASPHERE/pair_gayberne.cpp

src/ASPHERE/pair_gayberne.h

src/ASPHERE/pair_line_lj.cpp

src/ASPHERE/pair_line_lj.h

src/ASPHERE/pair_resquared.cpp

src/ASPHERE/pair_resquared.h

src/ASPHERE/pair_tri_lj.cpp

src/ASPHERE/pair_tri_lj.h

src/BODY/body_nparticle.h

src/BODY/compute_body_local.h

src/BODY/fix_nve_body.h

src/BODY/pair_body.cpp

src/BODY/pair_body.h

src/CLASS2/angle_class2.h

src/CLASS2/bond_class2.h

src/CLASS2/pair_lj_class2_coul_cut.cpp

src/CLASS2/pair_lj_class2_coul_long.cpp

src/COLLOID/fix_wall_colloid.h

src/COLLOID/pair_colloid.h

src/COLLOID/pair_yukawa_colloid.cpp

src/COLLOID/pair_yukawa_colloid.h

src/CORESHELL/Install.sh

src/CORESHELL/compute_temp_cs.cpp

src/CORESHELL/compute_temp_cs.h

src/CORESHELL/pair_born_coul_long_cs.cpp

src/CORESHELL/pair_born_coul_long_cs.h

src/CORESHELL/pair_buck_coul_long_cs.cpp

src/CORESHELL/pair_buck_coul_long_cs.h

src/DIPOLE/atom_vec_dipole.h

src/DIPOLE/pair_lj_cut_dipole_cut.cpp

src/DIPOLE/pair_lj_cut_dipole_cut.h

src/DIPOLE/pair_lj_cut_dipole_long.cpp

src/DIPOLE/pair_lj_cut_dipole_long.h

src/DIPOLE/pair_lj_long_dipole_long.cpp

src/FLD/pair_brownian.cpp

src/FLD/pair_brownian.h

src/FLD/pair_brownian_poly.cpp

src/FLD/pair_brownian_poly.h

src/FLD/pair_lubricate.cpp

src/FLD/pair_lubricate.h

src/FLD/pair_lubricateU.cpp

src/FLD/pair_lubricateU.h

src/FLD/pair_lubricateU_poly.cpp

src/FLD/pair_lubricateU_poly.h

src/FLD/pair_lubricate_poly.cpp

src/FLD/pair_lubricate_poly.h

src/GPU/Install.sh

src/GPU/fix_gpu.cpp

src/GPU/fix_gpu.h

src/GPU/pair_beck_gpu.cpp

src/GPU/pair_beck_gpu.h

src/GPU/pair_born_coul_long_gpu.cpp

src/GPU/pair_born_coul_long_gpu.h

src/GPU/pair_born_coul_wolf_gpu.cpp

src/GPU/pair_born_coul_wolf_gpu.h

src/GPU/pair_born_gpu.cpp

src/GPU/pair_born_gpu.h

src/GPU/pair_buck_coul_cut_gpu.cpp

src/GPU/pair_buck_coul_cut_gpu.h

src/GPU/pair_buck_coul_long_gpu.cpp

src/GPU/pair_buck_coul_long_gpu.h

src/GPU/pair_buck_gpu.cpp

src/GPU/pair_buck_gpu.h

src/GPU/pair_colloid_gpu.cpp

src/GPU/pair_colloid_gpu.h

src/GPU/pair_coul_cut_gpu.cpp

src/GPU/pair_coul_cut_gpu.h

src/GPU/pair_coul_debye_gpu.cpp

src/GPU/pair_coul_debye_gpu.h

src/GPU/pair_coul_dsf_gpu.cpp

src/GPU/pair_coul_dsf_gpu.h

src/GPU/pair_coul_long_gpu.cpp

src/GPU/pair_coul_long_gpu.h

src/GPU/pair_dpd_gpu.cpp

src/GPU/pair_dpd_gpu.h

src/GPU/pair_dpd_tstat_gpu.cpp

src/GPU/pair_dpd_tstat_gpu.h

src/GPU/pair_eam_alloy_gpu.h

src/GPU/pair_eam_fs_gpu.h

src/GPU/pair_eam_gpu.cpp

src/GPU/pair_eam_gpu.h

src/GPU/pair_gauss_gpu.cpp

src/GPU/pair_gauss_gpu.h

src/GPU/pair_gayberne_gpu.cpp

src/GPU/pair_gayberne_gpu.h

src/GPU/pair_lj96_cut_gpu.cpp

src/GPU/pair_lj96_cut_gpu.h

src/GPU/pair_lj_charmm_coul_long_gpu.cpp

src/GPU/pair_lj_charmm_coul_long_gpu.h

src/GPU/pair_lj_class2_coul_long_gpu.cpp

src/GPU/pair_lj_class2_coul_long_gpu.h

src/GPU/pair_lj_class2_gpu.cpp

src/GPU/pair_lj_class2_gpu.h

src/GPU/pair_lj_cut_coul_cut_gpu.cpp

src/GPU/pair_lj_cut_coul_cut_gpu.h

src/GPU/pair_lj_cut_coul_debye_gpu.cpp

src/GPU/pair_lj_cut_coul_debye_gpu.h

src/GPU/pair_lj_cut_coul_dsf_gpu.cpp

src/GPU/pair_lj_cut_coul_dsf_gpu.h

src/GPU/pair_lj_cut_coul_long_gpu.cpp

src/GPU/pair_lj_cut_coul_long_gpu.h

src/GPU/pair_lj_cut_coul_msm_gpu.cpp

src/GPU/pair_lj_cut_coul_msm_gpu.h

src/GPU/pair_lj_cut_dipole_cut_gpu.cpp

src/GPU/pair_lj_cut_dipole_cut_gpu.h

src/GPU/pair_lj_cut_gpu.cpp

src/GPU/pair_lj_cut_gpu.h

src/GPU/pair_lj_expand_gpu.cpp

src/GPU/pair_lj_expand_gpu.h

src/GPU/pair_lj_gromacs_gpu.cpp

src/GPU/pair_lj_gromacs_gpu.h

src/GPU/pair_lj_sdk_coul_long_gpu.cpp

src/GPU/pair_lj_sdk_gpu.cpp

src/GPU/pair_lj_sf_dipole_sf_gpu.cpp

src/GPU/pair_lj_sf_dipole_sf_gpu.h

src/GPU/pair_mie_cut_gpu.cpp

src/GPU/pair_mie_cut_gpu.h

src/GPU/pair_morse_gpu.cpp

src/GPU/pair_morse_gpu.h

src/GPU/pair_resquared_gpu.cpp

src/GPU/pair_resquared_gpu.h

src/GPU/pair_soft_gpu.cpp

src/GPU/pair_soft_gpu.h

src/GPU/pair_sw_gpu.cpp

src/GPU/pair_sw_gpu.h

src/GPU/pair_table_gpu.cpp

src/GPU/pair_table_gpu.h

src/GPU/pair_yukawa_colloid_gpu.cpp

src/GPU/pair_yukawa_colloid_gpu.h

src/GPU/pair_yukawa_gpu.cpp

src/GPU/pair_yukawa_gpu.h

src/GPU/pppm_gpu.cpp

src/GPU/pppm_gpu.h

src/GRANULAR/fix_freeze.h

src/GRANULAR/fix_pour.cpp

src/GRANULAR/fix_pour.h

src/GRANULAR/fix_wall_gran.h

src/GRANULAR/pair_gran_hertz_history.cpp

src/GRANULAR/pair_gran_hertz_history.h

src/GRANULAR/pair_gran_hooke.h

src/GRANULAR/pair_gran_hooke_history.cpp

src/GRANULAR/pair_gran_hooke_history.h

src/KIM/Install.sh

src/KIM/Makefile.lammps

src/KIM/pair_kim.cpp

src/KIM/pair_kim.h

src/KOKKOS/Install.sh

src/KOKKOS/README

src/KOKKOS/atom_kokkos.cpp

src/KOKKOS/atom_kokkos.h

src/KOKKOS/atom_vec_angle_kokkos.cpp

src/KOKKOS/atom_vec_angle_kokkos.h

src/KOKKOS/atom_vec_atomic_kokkos.cpp

src/KOKKOS/atom_vec_atomic_kokkos.h

src/KOKKOS/atom_vec_bond_kokkos.cpp

src/KOKKOS/atom_vec_bond_kokkos.h

src/KOKKOS/atom_vec_charge_kokkos.cpp

src/KOKKOS/atom_vec_charge_kokkos.h

src/KOKKOS/atom_vec_full_kokkos.cpp

src/KOKKOS/atom_vec_full_kokkos.h

src/KOKKOS/atom_vec_kokkos.cpp

src/KOKKOS/atom_vec_kokkos.h

src/KOKKOS/atom_vec_molecular_kokkos.cpp

src/KOKKOS/atom_vec_molecular_kokkos.h

src/KOKKOS/comm_kokkos.cpp

src/KOKKOS/comm_kokkos.h

src/KOKKOS/domain_kokkos.cpp

src/KOKKOS/domain_kokkos.h

src/KOKKOS/fix_langevin_kokkos.cpp

src/KOKKOS/fix_langevin_kokkos.h

src/KOKKOS/fix_nve_kokkos.cpp

src/KOKKOS/fix_nve_kokkos.h

src/KOKKOS/kokkos.cpp

src/KOKKOS/kokkos.h

src/KOKKOS/kokkos_type.h

src/KOKKOS/memory_kokkos.h

src/KOKKOS/modify_kokkos.cpp

src/KOKKOS/modify_kokkos.h

src/KOKKOS/neigh_full_kokkos.h

src/KOKKOS/neigh_list_kokkos.cpp

src/KOKKOS/neigh_list_kokkos.h

src/KOKKOS/neighbor_kokkos.cpp

src/KOKKOS/neighbor_kokkos.h

src/KOKKOS/pair_buck_kokkos.cpp

src/KOKKOS/pair_buck_kokkos.h

src/KOKKOS/pair_coul_cut_kokkos.cpp

src/KOKKOS/pair_coul_cut_kokkos.h

src/KOKKOS/pair_coul_dsf_kokkos.cpp

src/KOKKOS/pair_coul_dsf_kokkos.h

src/KOKKOS/pair_coul_wolf_kokkos.cpp

src/KOKKOS/pair_coul_wolf_kokkos.h

src/KOKKOS/pair_eam_kokkos.cpp

src/KOKKOS/pair_eam_kokkos.h

src/KOKKOS/pair_kokkos.h

src/KOKKOS/pair_lj_cut_coul_cut_kokkos.cpp

src/KOKKOS/pair_lj_cut_coul_cut_kokkos.h

src/KOKKOS/pair_lj_cut_coul_long_kokkos.cpp

src/KOKKOS/pair_lj_cut_coul_long_kokkos.h

src/KOKKOS/pair_lj_cut_kokkos.cpp

src/KOKKOS/pair_lj_cut_kokkos.h

src/KOKKOS/pair_table_kokkos.cpp

src/KOKKOS/pair_table_kokkos.h

src/KOKKOS/verlet_kokkos.cpp

src/KOKKOS/verlet_kokkos.h

src/KSPACE/ewald.cpp

src/KSPACE/ewald.h

src/KSPACE/ewald_disp.cpp

src/KSPACE/ewald_disp.h

src/KSPACE/fix_tune_kspace.cpp

src/KSPACE/fix_tune_kspace.h

src/KSPACE/gridcomm.cpp

src/KSPACE/gridcomm.h

src/KSPACE/msm.cpp

src/KSPACE/msm_cg.cpp

src/KSPACE/pair_born_coul_long.cpp

src/KSPACE/pair_born_coul_long.h

src/KSPACE/pair_born_coul_msm.h

src/KSPACE/pair_buck_coul_long.cpp

src/KSPACE/pair_buck_coul_long.h

src/KSPACE/pair_buck_coul_msm.h

src/KSPACE/pair_buck_long_coul_long.cpp

src/KSPACE/pair_coul_long.cpp

src/KSPACE/pair_coul_msm.h

src/KSPACE/pair_lj_charmm_coul_long.cpp

src/KSPACE/pair_lj_charmm_coul_msm.h

src/KSPACE/pair_lj_cut_coul_long.cpp

src/KSPACE/pair_lj_cut_coul_long.h

src/KSPACE/pair_lj_cut_coul_msm.h

src/KSPACE/pair_lj_cut_tip4p_long.cpp

src/KSPACE/pair_lj_cut_tip4p_long.h

src/KSPACE/pair_lj_long_coul_long.cpp

src/KSPACE/pair_lj_long_tip4p_long.cpp

src/KSPACE/pair_lj_long_tip4p_long.h

src/KSPACE/pair_tip4p_long.h

src/KSPACE/pppm.cpp

src/KSPACE/pppm_cg.cpp

src/KSPACE/pppm_disp.cpp

src/KSPACE/pppm_disp.h

src/KSPACE/pppm_disp_tip4p.cpp

src/KSPACE/pppm_disp_tip4p.h

src/KSPACE/pppm_stagger.cpp

src/KSPACE/pppm_tip4p.cpp

src/KSPACE/pppm_tip4p.h

src/KSPACE/remap.cpp

src/MAKE/MACHINES/

src/MAKE/MACHINES/Makefile.beacon

src/MAKE/MACHINES/Makefile.bgl

src/MAKE/MACHINES/Makefile.bgq

src/MAKE/MACHINES/Makefile.bgq.details

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src/MAKE/OPTIONS/Makefile.kokkos_cuda

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src/MANYBODY/fix_qeq_comb.cpp

src/MANYBODY/fix_qeq_comb.h

src/MANYBODY/pair_adp.cpp

src/MANYBODY/pair_adp.h

src/MANYBODY/pair_airebo.cpp

src/MANYBODY/pair_airebo.h

src/MANYBODY/pair_bop.cpp

src/MANYBODY/pair_bop.h

src/MANYBODY/pair_comb.cpp

src/MANYBODY/pair_comb.h

src/MANYBODY/pair_comb3.cpp

src/MANYBODY/pair_comb3.h

src/MANYBODY/pair_eam.cpp

src/MANYBODY/pair_eam.h

src/MANYBODY/pair_eam_alloy.h

src/MANYBODY/pair_eam_fs.h

src/MANYBODY/pair_eim.cpp

src/MANYBODY/pair_eim.h

src/MANYBODY/pair_lcbop.cpp

src/MANYBODY/pair_lcbop.h

src/MANYBODY/pair_nb3b_harmonic.cpp

src/MANYBODY/pair_rebo.h

src/MANYBODY/pair_sw.cpp

src/MANYBODY/pair_sw.h

src/MANYBODY/pair_tersoff.cpp

src/MANYBODY/pair_tersoff.h

src/MANYBODY/pair_tersoff_mod.h

src/MANYBODY/pair_tersoff_zbl.h

src/MC/fix_atom_swap.cpp

src/MC/fix_atom_swap.h

src/MC/fix_bond_break.cpp

src/MC/fix_bond_break.h

src/MC/fix_bond_create.cpp

src/MC/fix_bond_create.h

src/MC/fix_bond_swap.cpp

src/MC/fix_bond_swap.h

src/MC/fix_gcmc.cpp

src/MC/fix_gcmc.h

src/MC/fix_tfmc.cpp

src/MC/fix_tfmc.h

src/MC/pair_dsmc.h

src/MEAM/README

src/MEAM/pair_meam.cpp

src/MEAM/pair_meam.h

src/MISC/compute_msd_nongauss.h

src/MISC/compute_ti.h

src/MISC/fix_deposit.cpp

src/MISC/fix_efield.h

src/MISC/fix_evaporate.h

src/MISC/fix_gld.cpp

src/MISC/fix_gld.h

src/MISC/fix_orient_fcc.cpp

src/MISC/fix_orient_fcc.h

src/MISC/fix_thermal_conductivity.cpp

src/MISC/fix_thermal_conductivity.h

src/MISC/fix_ttm.cpp

src/MISC/fix_ttm.h

src/MISC/fix_viscosity.cpp

src/MISC/fix_viscosity.h

src/MISC/pair_nm_cut.h

src/MISC/pair_nm_cut_coul_cut.cpp

src/MISC/pair_nm_cut_coul_cut.h

src/MISC/pair_nm_cut_coul_long.cpp

src/MISC/pair_nm_cut_coul_long.h

src/MOLECULE/angle_charmm.h

src/MOLECULE/angle_cosine.h

src/MOLECULE/angle_cosine_delta.h

src/MOLECULE/angle_cosine_periodic.h

src/MOLECULE/angle_cosine_squared.h

src/MOLECULE/angle_harmonic.h

src/MOLECULE/angle_table.h

src/MOLECULE/atom_vec_angle.h

src/MOLECULE/atom_vec_bond.h

src/MOLECULE/atom_vec_full.h

src/MOLECULE/atom_vec_molecular.h

src/MOLECULE/atom_vec_template.h

src/MOLECULE/bond_fene.h

src/MOLECULE/bond_fene_expand.h

src/MOLECULE/bond_harmonic.h

src/MOLECULE/bond_morse.h

src/MOLECULE/bond_nonlinear.h

src/MOLECULE/bond_quartic.h

src/MOLECULE/bond_table.h

src/MOLECULE/dihedral_charmm.cpp

src/MOLECULE/dihedral_harmonic.cpp

src/MOLECULE/dihedral_harmonic.h

src/MOLECULE/dihedral_helix.cpp

src/MOLECULE/dihedral_helix.h

src/MOLECULE/dihedral_multi_harmonic.h

src/MOLECULE/improper_cvff.cpp

src/MOLECULE/improper_harmonic.cpp

src/MOLECULE/improper_harmonic.h

src/MOLECULE/improper_umbrella.cpp

src/MOLECULE/improper_umbrella.h

src/MOLECULE/pair_hbond_dreiding_lj.cpp

src/MOLECULE/pair_hbond_dreiding_lj.h

src/MOLECULE/pair_hbond_dreiding_morse.cpp

src/MOLECULE/pair_hbond_dreiding_morse.h

src/MOLECULE/pair_lj_charmm_coul_charmm.cpp

src/MOLECULE/pair_lj_charmm_coul_charmm_implicit.h

src/MOLECULE/pair_lj_cut_tip4p_cut.cpp

src/MOLECULE/pair_lj_cut_tip4p_cut.h

src/MOLECULE/pair_tip4p_cut.cpp

src/MOLECULE/pair_tip4p_cut.h

src/MPIIO/Install.sh

src/MPIIO/dump_atom_mpiio.cpp

src/MPIIO/dump_cfg_mpiio.cpp

src/MPIIO/dump_cfg_mpiio.h

src/MPIIO/dump_custom_mpiio.cpp

src/MPIIO/dump_xyz_mpiio.cpp

src/MPIIO/dump_xyz_mpiio.h

src/MPIIO/restart_mpiio.cpp

src/MPIIO/restart_mpiio.h

src/Makefile.lib

src/Makefile.shlib

src/OPT/pair_eam_alloy_opt.h

src/OPT/pair_eam_fs_opt.h

src/OPT/pair_eam_opt.cpp

src/OPT/pair_eam_opt.h

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src/OPT/pair_lj_charmm_coul_long_opt.h

src/OPT/pair_lj_cut_coul_long_opt.h

src/OPT/pair_lj_cut_opt.cpp

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src/OPT/pair_lj_long_coul_long_opt.h

src/OPT/pair_morse_opt.cpp

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src/PERI/atom_vec_peri.cpp

src/PERI/atom_vec_peri.h

src/PERI/compute_damage_atom.h

src/PERI/compute_dilatation_atom.h

src/PERI/compute_plasticity_atom.h

src/PERI/fix_peri_neigh.cpp

src/PERI/fix_peri_neigh.h

src/PERI/pair_peri_eps.cpp

src/PERI/pair_peri_eps.h

src/PERI/pair_peri_lps.cpp

src/PERI/pair_peri_lps.h

src/PERI/pair_peri_pmb.cpp

src/PERI/pair_peri_pmb.h

src/PERI/pair_peri_ves.cpp

src/PERI/pair_peri_ves.h

src/POEMS/README

src/POEMS/fix_poems.h

src/QEQ/fix_qeq.cpp

src/QEQ/fix_qeq.h

src/QEQ/fix_qeq_dynamic.cpp

src/QEQ/fix_qeq_dynamic.h

src/QEQ/fix_qeq_point.cpp

src/QEQ/fix_qeq_point.h

src/QEQ/fix_qeq_shielded.cpp

src/QEQ/fix_qeq_shielded.h

src/QEQ/fix_qeq_slater.cpp

src/QEQ/fix_qeq_slater.h

src/REAX/fix_reax_bonds.cpp

src/REAX/fix_reax_bonds.h

src/REAX/pair_reax.cpp

src/REAX/pair_reax.h

src/REAX/pair_reax_fortran.h

src/REPLICA/compute_event_displace.h

src/REPLICA/fix_event.h

src/REPLICA/fix_event_prd.h

src/REPLICA/fix_event_tad.h

src/REPLICA/fix_neb.cpp

src/REPLICA/fix_neb.h

src/REPLICA/neb.cpp

src/REPLICA/neb.h

src/REPLICA/prd.cpp

src/REPLICA/prd.h

src/REPLICA/tad.cpp

src/REPLICA/tad.h

src/REPLICA/temper.cpp

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src/REPLICA/verlet_split.cpp

src/REPLICA/verlet_split.h

src/RIGID/compute_erotate_rigid.h

src/RIGID/compute_ke_rigid.h

src/RIGID/fix_rattle.cpp

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src/RIGID/fix_rigid.cpp

src/RIGID/fix_rigid.h

src/RIGID/fix_rigid_nh.cpp

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src/RIGID/fix_rigid_nph.h

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src/RIGID/fix_rigid_nve.h

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src/RIGID/fix_rigid_nvt.h

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src/RIGID/fix_rigid_small.cpp

src/RIGID/fix_rigid_small.h

src/RIGID/fix_shake.cpp

src/RIGID/fix_shake.h

src/SHOCK/fix_append_atoms.cpp

src/SHOCK/fix_append_atoms.h

src/SHOCK/fix_msst.h

src/SHOCK/fix_nphug.h

src/SHOCK/fix_wall_piston.cpp

src/SHOCK/fix_wall_piston.h

src/SNAP/compute_sna_atom.cpp

src/SNAP/compute_sna_atom.h

src/SNAP/compute_snad_atom.cpp

src/SNAP/compute_snad_atom.h

src/SNAP/compute_snav_atom.cpp

src/SNAP/compute_snav_atom.h

src/SNAP/openmp_snap.h

src/SNAP/pair_snap.cpp

src/SNAP/pair_snap.h

src/SNAP/sna.cpp

src/SRD/fix_srd.cpp

src/SRD/fix_srd.h

src/SRD/fix_wall_srd.h

src/STUBS/mpi.c

src/STUBS/mpi.h

src/USER-ATC/Install.sh

src/USER-ATC/README

src/USER-ATC/fix_atc.cpp

src/USER-ATC/fix_atc.h

src/USER-AWPMD/README

src/USER-AWPMD/atom_vec_wavepacket.cpp

src/USER-AWPMD/atom_vec_wavepacket.h

src/USER-AWPMD/fix_nve_awpmd.h

src/USER-AWPMD/pair_awpmd_cut.cpp

src/USER-AWPMD/pair_awpmd_cut.h

src/USER-CG-CMM/pair_lj_sdk_coul_long.cpp

src/USER-COLVARS/README

src/USER-COLVARS/colvarproxy_lammps.cpp

src/USER-COLVARS/colvarproxy_lammps.h

src/USER-COLVARS/fix_colvars.cpp

src/USER-COLVARS/fix_colvars.h

src/USER-COLVARS/group_ndx.cpp

src/USER-CUDA/Install.sh

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src/USER-CUDA/pair_morse_cuda.cpp

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src/USER-EFF/atom_vec_electron.cpp

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src/USER-LB/fix_lb_viscous.h

src/USER-MISC/README

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src/USER-MISC/angle_cosine_shift_exp.h

src/USER-MISC/angle_dipole.h

src/USER-MISC/angle_fourier.h

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src/USER-MISC/angle_quartic.h

src/USER-MISC/compute_ackland_atom.cpp

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src/USER-MISC/compute_basal_atom.cpp

src/USER-MISC/compute_basal_atom.h

src/USER-MISC/compute_temp_rotate.cpp

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src/USER-MISC/pair_coul_diel.cpp

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src/USER-MISC/pair_list.cpp

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src/USER-MISC/pair_meam_spline.cpp

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src/USER-MISC/pair_tersoff_table.cpp

src/USER-MISC/pair_tersoff_table.h

src/USER-MOLFILE/Install.sh

src/USER-MOLFILE/Makefile.lammps

src/USER-MOLFILE/README

src/USER-MOLFILE/dump_molfile.cpp

src/USER-OMP/Install.sh

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tools/moltemplate/src/nbody_reorder_atoms.py

tools/moltemplate/src/oplsaa_moltemplate.py

tools/moltemplate/src/postprocess_input_script.py

tools/moltemplate/src/raw2data.py

tools/moltemplate/src/ttree.py

tools/moltemplate/src/ttree_lex.py

tools/moltemplate/src/ttree_matrix_stack.py

tools/msi2lmp/README

tools/msi2lmp/src/ReadMdfFile.c

tools/msi2lmp/src/WriteDataFile.c

tools/msi2lmp/src/msi2lmp.c

tools/msi2lmp/src/msi2lmp.h

tools/python/README

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