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~aakhtar/siesta/spglib-inclusion

  • Committer: matthieu verstraete
  • Date: 2018-12-12 13:12:19 UTC
  • Revision ID: matthieu.jean.verstraete@gmail.com-20181212131219-qvtc20dzwhcvbp1i
updates of interface layer f90 with spglib
Filename Latest Rev Last Changed Committer Comment Size
..
Bands 300.11.16 12 years ago Alberto Garcia First implementation of Fatbands functionality Fo Diff
CMLComp 291 14 years ago Alberto Garcia Update of CMLComp output. Integration of FoX libra Diff
Contour 3 19 years ago Alberto Garcia Siesta 0.11 -- imported from CVS Import from cvs u Diff
Contrib 112 18 years ago Alberto Garcia Integrated some third-party code by A. Postnikov a Diff
COOP 192.9.2 14 years ago Alberto Garcia Synch with trunk (2.6.32) * Documentation updates Diff
Denchar 3 19 years ago Alberto Garcia Siesta 0.11 -- imported from CVS Import from cvs u Diff
DensityMatrix 192.1.87 15 years ago Alberto Garcia Incorporate proper patchlogs from trunk merge A p Diff
Eig2DOS 413.1.2 11 years ago Alberto Garcia New energy-range and band-index options in mprop. Diff
Gen-basis 295.2.6 14 years ago Alberto Garcia Moved gen-basis to Util/Gen-basis. Fixed Tutorials Diff
Grid 192.1.87 15 years ago Alberto Garcia Incorporate proper patchlogs from trunk merge A p Diff
Grimme 391.1.172 10 years ago Nick Papior Andersen Added a tool to convert a species list to a Grimme Diff
Helpers 297.1.60 14 years ago Alberto Garcia Add Util/Helpers/get_chem_labels -- silent option Diff
HSX 280 15 years ago Alberto Garcia New utility programs and features * Orbital proj Diff
JobList 426.1.1 11 years ago Jose M Soler Added Util/JobList, containing a utility program t Diff
Macroave 19 19 years ago Alberto Garcia Siesta 1.2.45 (after parallel PDOS +fixes, pre-1.3 Diff
MD 87 18 years ago Alberto Garcia New starlink autoconf. CML update. MD scripts. New Diff
MM_Examples 224 16 years ago Alberto Garcia Zmatrix optimization enhancements. Sign change in Diff
MPI_test 295.2.18 14 years ago Alberto Garcia Create independent Util/MPI_test directory Diff
ON 300.10.2 13 years ago Alberto Garcia Add UtiÃl/ON dir with lwf2cdf program Diff
Optical 28 19 years ago Alberto Garcia Siesta 1.4.17 -- after optical props + D&C at Gamm Diff
Optimizer 281 15 years ago Alberto Garcia Added general-purpose optimizer in Util/Optimizer Diff
pdosxml 29 19 years ago Alberto Garcia Siesta 1.4.20 (misc fixes, pdosxml import) + Impor Diff
PEXSI 432.2.50 10 years ago Alberto Garcia Implement cumulative DOS calculation based on raw Diff
Plrho 1 19 years ago Alberto Garcia initial import (automatically generated log messa Diff
Projections 280 15 years ago Alberto Garcia New utility programs and features * Orbital proj Diff
PyAtom 10 19 years ago Alberto Garcia Siesta-1.0.49 -- after merge of newatom cvs branch Diff
SCF 192.1.87 15 years ago Alberto Garcia Incorporate proper patchlogs from trunk merge A p Diff
Scripting 180 17 years ago Alberto Garcia Scripting utilities Util/Scripting contains some p Diff
sies2arc 3 19 years ago Alberto Garcia Siesta 0.11 -- imported from CVS Import from cvs u Diff
SiestaSubroutine 26 19 years ago Alberto Garcia Siesta 1.4.9 -- after siesta-as-subroutine + misc Diff
Sockets 462.4.17 8 years ago Alberto Garcia Added Util/Sockets with examples. Fixed null termi Diff
SpPivot 391.1.469 9 years ago Nick Papior Andersen Added pivoting sparsity pattern in the utilities Diff
STM 192.1.87 15 years ago Alberto Garcia Incorporate proper patchlogs from trunk merge A p Diff
TS 391.1.164 10 years ago Nick Papior Andersen Added transiesta script to create electrode/contou Diff
VCA 175 17 years ago Alberto Garcia Changes to support synthetic atoms (VCA) Support f Diff
Vibra 1 19 years ago Alberto Garcia initial import (automatically generated log messa Diff
WFS 280 15 years ago Alberto Garcia New utility programs and features * Orbital proj Diff
File build_all.sh 462.80.2 6 years ago Nick Papior Updated Makefiles in utilities and ensured everyth 1.3 KB Diff Download File
File clean_all.sh 462.23.198 6 years ago Nick Papior Merged 4.0 r535-536 702 bytes Diff Download File
COPYING 462.8.1 8 years ago Alberto Garcia Prepare GPL release * Include proper headers * A 363 bytes Diff Download File
File dep_all.sh 462.23.302 6 years ago Nick Papior Yet, yet another huge speed up for very large syst 1.5 KB Diff Download File
README 462.23.204 6 years ago Nick Papior Merged 4.0 r537-538 3.9 KB Diff Download File