Commits · develop · Tomás Barros / octopus · GitLab

Aug 23, 2017
- Merge branch 'up_gitignore' into 'develop' · 8f6e38a5
  Micael Oliveira authored Aug 23, 2017
  8f6e38a5
- Updated .gitignore file. · 1eeec149
  Shunsuke A. Sato authored Aug 23, 2017
  
  1eeec149
Aug 15, 2017
- Merge branch 'missing_push_sub' into 'develop' · 1b03e370
  Nicolas Tancogne-Dejean authored Aug 15, 2017
  1b03e370
- Merge branch 'print-atomic-coordinates' into 'develop' · 3a43c245
  Micael Oliveira authored Aug 15, 2017
  3a43c245
Aug 11, 2017
- rename function so as not to pretend to write extended xyz. · 1691e5cb
  Ask Hjorth Larsen authored Aug 11, 2017
  
  1691e5cb
- revert changes to xyz writing code no longer used · dc0069f2
  Ask Hjorth Larsen authored Aug 11, 2017
  
  dc0069f2
Aug 02, 2017
- Fix a missing push_sub · 960e5f3d
  Nicolas Tancogne-Dejean authored Aug 02, 2017
  
  960e5f3d
Jul 29, 2017
- write boxshape and the box definition variables that pertain to it in the... · 28ccf59a
  Ask Hjorth Larsen authored Jul 29, 2017
  28ccf59a
Jul 24, 2017
- Merge branch 'die_libtool_die' into 'develop' · 27d56a3a
  Xavier Andrade authored Jul 24, 2017
  27d56a3a
- add new function to write extended xyz file including lattice vectors. Turns... · c39f3a4e
  Ask Hjorth Larsen authored Jul 24, 2017
  c39f3a4e
Jul 19, 2017
- * Do not use libtool in Octopus nor spglib. This causes a lot of issues with compilation. · 916ae125
  Xavier Andrade authored Jul 19, 2017
  916ae125
Jul 18, 2017
- print initial coordinates to exec/initial_coordinates.xyz, always using... · adf7c210
  Ask Hjorth Larsen authored Jul 18, 2017
  adf7c210
Jun 16, 2017
- Merge branch 'lattice_vectors_from_angles' into 'develop' · 83023e51
  Micael Oliveira authored Jun 16, 2017
  83023e51
Jun 15, 2017
- It is now possible to define the lattice vectors from angles. These angles are... · f97414bb
  Nicolas Tancogne-Dejean authored Jun 15, 2017
  f97414bb
Jun 13, 2017
- Merge branch 'output_integrated' into 'develop' · 83310d5a
  Micael Oliveira authored Jun 13, 2017
  83310d5a
Jun 12, 2017
- Implementation of the output integrate_xy, integrage_xz and integrate_yz which... · ebe08fc1
  Nicolas Tancogne-Dejean authored Jun 12, 2017
  ebe08fc1
- Merge branch 'update_spglib' into 'develop' · a0153935
  Micael Oliveira authored Jun 12, 2017
  a0153935
- Use the bit command for more clarity in the documentation of the OutFormat variable. · 14db8ed4
  Nicolas Tancogne-Dejean authored Jun 12, 2017
  
  14db8ed4
Jun 09, 2017
- Add the missing file. · 80002e76
  Nicolas Tancogne-Dejean authored Jun 09, 2017
  
  80002e76
- Adding the missing rule to make the file spglib_f08.f90 · cbf15fb4
  Nicolas Tancogne-Dejean authored Jun 09, 2017
  
  cbf15fb4
Jun 08, 2017
- Modifications in order to be able to compile the code with spglib-1.9.9. · 5f2a4627
  Nicolas Tancogne-Dejean authored Jun 09, 2017
  
  5f2a4627
- Merge branch 'hotfix-missing_include_file_in_makefile' into 'develop' · 78ab18e1
  Micael Oliveira authored Jun 08, 2017
  78ab18e1
- Including functionals_list.F90 from functionals.F90 to ensure the file is there at compile time. · 5516bc2d
  Micael Oliveira authored Jun 08, 2017
  
  5516bc2d
- Added missing include file that got removed from Makefile by mistake. · e04ace5d
  Micael Oliveira authored Jun 08, 2017
  
  e04ace5d
- Merge branch 'GOConstrain' into 'develop' · b3c13ae2
  Micael Oliveira authored Jun 08, 2017
  b3c13ae2
- Merge branch 'local_domains' into 'develop' · 855b6626
  Micael Oliveira authored Jun 08, 2017
  855b6626
Jun 07, 2017
- Adding the files NEWS, README and AUTHORS to allows for autotools to work. · 8346bb82
  Nicolas Tancogne-Dejean authored Jun 07, 2017
  
  8346bb82
- Adding the files of spglib1.9.9 · 4ec19ed4
  Nicolas Tancogne-Dejean authored Jun 07, 2017
  
  4ec19ed4
- Adding the testfilename in Makefile.am · ee7eceb2
  Nicolas Tancogne-Dejean authored Jun 07, 2017
  
  ee7eceb2
- Fixing restart read. · e5e294d1
  Joaquim Jornet Somoza authored Jun 07, 2017
  
  e5e294d1
- Introducing the possibility of adding constrains for a geometry optimization,... · d0af4611
  Nicolas Tancogne-Dejean authored Jun 07, 2017
  d0af4611
- Missing module · 229c27e2
  Joaquim Jornet Somoza authored Jun 07, 2017
  
  229c27e2
Jun 06, 2017
- New development version code name is wolfi, the star-sucker pygmy octopus. · d82a2165
  Micael Oliveira authored Jun 06, 2017
  
  d82a2165
- Merge branch 'release-7.0' into 'develop' · 826476c4
  Micael Oliveira authored Jun 06, 2017
  826476c4
- Adding new function to compute atoms inside domains. · 7e1bb07c
  Joaquim Jornet Somoza authored Jun 06, 2017
  
  7e1bb07c
- Bugfix: Missing ionic_dipole variable · dc04ec26
  Joaquim Jornet Somoza authored Jun 06, 2017
  
  dc04ec26
- Bugfix: Dipole moment for local domains is now computed using the center of... · 0ae91143
  Joaquim Jornet Somoza authored Jun 06, 2017
  0ae91143
- Merge branch 'release-7.0' into 'master' · 7509ca00
  Micael Oliveira authored Jun 06, 2017
  View commits for tag 7.0 7.0
  7509ca00
- Added new release to debian changelog. · f264b0c5
  Micael Oliveira authored Jun 06, 2017
  
  f264b0c5
- Added new release. · 78a65a54
  Micael Oliveira authored Jun 06, 2017
  
  78a65a54