~marcodalessandro76/bigdft/1.8

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.tags
.tags1
tags
.svn
install
build
psolver-*.tar.*
bigdft-*.tar.*
pseudo-*.tar.*
tmp*
Makefile.in
Makefile
jhbuildrc
aclocal.m4
autom4te.cache
*/INSTALL
futile/config/*
psolver/config/*
bigdft/config/*
spred/config/*
configure
config.inc
config.status
config.h
config.h.in
stamp-h1
mpif.h
time.prc
debian
bigdft/src/lib/fft/fft_check
bigdft/src/parameters.h
bigdft/src/cluster
bigdft/src/memguess
bigdft/src/test_forces
bigdft/src/BigDFT2Wannier
bigdft/src/MDanalysis
bigdft/src/NEB
bigdft/src/abscalc
bigdft/src/bart
bigdft/src/bigdft
bigdft/src/frequencies
bigdft/src/oneatom
bigdft/src/rism
bigdft/src/splsad
bigdft/src/bindings/bindings_dbus.*
bigdft/src/tools/analyze_georelax
bigdft/src/tools/fermi
bigdft/src/tools/matchrotation
bigdft/src/tools/p_axis_posinp
bigdft/src/tools/rotate_posinp
bigdft/src/tools/unitconversion_posinp
bigdft/src/tools/wocc
bigdft/src/tools/bader/bader
bigdft/src/PSolver/Exercise/PS_Exercise.pdf
bigdft/src/PSolver/PSolver
bigdft/src/OpenCL/.deps
bigdft/src/CUDA/.deps
bigdft/src/modules/configure.inc
bigdft/CUDA/S_GPU/.deps/
bigdft/CUDA/S_GPU/src/.deps/
bigdft/CUDA/S_GPU/src/.dirstamp
bigdft/*/*.in
bigdft/*/*.check
bigdft/*/*/wavefunction.*
bigdft/*/*/wave-*
bigdft/*/*/*.out
bigdft/*/*/*.ascii
bigdft/*/*/*.memguess
bigdft/*/*/psppar.*
bigdft/*/*/*.prc
bigdft/*/*/*.dat
bigdft/*/*/*.report
bigdft/*/*/default.*
bigdft/*/*/data*
bigdft/*/*/final_posinp.*
bigdft/*/*/frequencies.*
bigdft/*/*/geopt.mon
bigdft/*/*/velocities.xyz
bigdft/*/*/CPUlimit
bigdft/*/*/pdos.dat
bigdft/*/*/td_spectra.txt
bigdft/libs/PSolver/PS_*
bigdft/libs/fft/fft_*
bigdft/libs/xc/test_xc
bigdft/overDFT/NEB/NEB_*
bigdft/overDFT/NEB/triH.NEB.*
bigdft/overDFT/SPLSAD/anchorpoints*
bigdft/overDFT/SPLSAD/fort.*
bigdft/overDFT/SPLSAD/nogt.*
bigdft/overDFT/SPLSAD/path000.*
bigdft/overDFT/SPLSAD/vogt.*
bigdft/overDFT/SPLSAD/path*
bigdft/overDFT/SPLSAD/saddle.xyz
bigdft/overDFT/*/cheb_spectra_*
bigdft/overDFT/XabsLanc/alphabeta*
bigdft/overDFT/*/electronic_density.cube
bigdft/overDFT/Xabsb2B/b2B_xanes.*
bigdft/overDFT/Xabsb2B/local_potentialb2B_*
bigdft/tutorials/dev/toy_model
pseudo/INSTALL
pseudo/install-sh
pseudo/missing
libABINIT/INSTALL
libABINIT/install-sh
libABINIT/missing
libABINIT/depcomp
yaml/
PyYAML/
libxc/
pspio/
openbabel/
*.aux
*.log
*.mod
*.toc
doc/Manual/manual.pdf
S_GPU/libtool
S_GPU/config.guess
S_GPU/config.sub
S_GPU/depcomp
S_GPU/install-sh
S_GPU/ltmain.sh
S_GPU/m4/*.m4
S_GPU/missing
S_GPU/examples/c/add_array/Makefile.standalone
S_GPU/examples/c/simple/Makefile.standalone
S_GPU/examples/c/simple/square_not_shared
S_GPU/examples/fortran/add_array/Makefile.standalone
S_GPU/src/CUDA/.deps/
tmp.c
.deps
*.orig
utils/PSPfiles/Krach-LDA/CVS
utils/PSPfiles/Krach-PBE/CVS
bigdft/init/pspconf.f90
doc/*.pdf
MYTHINGS
doc/tests.xml
NK.dft
NK.occup
NK.out.ref
NK.sic
NK.xyz
TAGS
bigdft/test.f90
PSolver/src/test.f90
PSolver/tests/PS_Integral.f90.moved
bigdft/doc/Manual/test.txt
bigdft/convolutions/.directory
bigdft/wavelib/scalar_product.f90
bzr_hook.sh
wannier90-*.tar.*
wannier90-*/
glib-*.tar.*
glib-*/
gobject-introspection-*.tar.*
gobject-introspection-*/
pygobject-*.tar.*
pygobject-*/
libffi*
etsf_io-*.tar.*
etsf_io-*/
netcdf-*.tar.*
netcdf-*/
netcdf-fortran-*.tar.*
netcdf-fortran-*/
GaIn-*/
spred/INSTALL
libABINIT/compile
chess/config
chess/compile
chess/depcomp
chess/install-sh
chess/missing
.ipynb_checkpoints*/