Commits · v3.1.0 · Light and Molecules / Newton-X · GitLab

Oct 10, 2022
- Correct bug in cioverlap. · 94c09bd0
  Baptiste Demoulin authored Oct 10, 2022
  View commits for tag v3.1.0 v3.1.0
  
  94c09bd0
- Correct bug in input parser. · 9166b371
  Baptiste Demoulin authored Oct 10, 2022
  9166b371
- Add manual changlog in release/ · 8f5153da
  Baptiste Demoulin authored Oct 10, 2022
  
  8f5153da
- Update .gitlab-ci.yml file · e0c05fbc
  Baptiste Demoulin authored Oct 10, 2022
  
  e0c05fbc
- Correct release script. · b57e9428
  Baptiste Demoulin authored Oct 10, 2022
  
  b57e9428
- Update .gitlab-ci.yml file · da60b3e0
  Baptiste Demoulin authored Oct 10, 2022
  
  da60b3e0
- Correct release script. · d2d2369b
  Baptiste Demoulin authored Oct 10, 2022
  
  d2d2369b
- Add release script. · 4646a6a5
  Baptiste Demoulin authored Oct 10, 2022
  
  4646a6a5
- Merge branch 'everything_in_fortran' into 'master' · 028422b6
  Baptiste Demoulin authored Oct 10, 2022
  028422b6
- Correct bug in CI. · 52c0cba3
  Baptiste Demoulin authored Oct 10, 2022
  
  52c0cba3
- Try to make CI release include the changelog. · 7e069c79
  Baptiste Demoulin authored Oct 10, 2022
  
  7e069c79
- Update Changelog. · 2f554e4e
  Baptiste Demoulin authored Oct 10, 2022
  
  2f554e4e
- Adapt input generator. · 43df69a4
  Baptiste Demoulin authored Oct 10, 2022
  43df69a4
- Remove `run_parallel.pl` from distribution. · 9a794a3d
  Baptiste Demoulin authored Oct 10, 2022
  
  9a794a3d
Oct 05, 2022
- Remove script run_parallel.pl · 0bca538d
  Baptiste Demoulin authored Oct 05, 2022
  
  0bca538d
- Change the overlap module to make use of mod_async. · dbbadaa8
  Baptiste Demoulin authored Oct 05, 2022
  
  dbbadaa8
- Update exciton modules to make use of async module. · c2525bc3
  Baptiste Demoulin authored Oct 05, 2022
  c2525bc3
- Add a module for asynchronous calculations. · f0f02ca0
  Baptiste Demoulin authored Oct 05, 2022
  f0f02ca0
- Remove unneeded Perl script. · 661d3540
  Baptiste Demoulin authored Oct 05, 2022
  
  661d3540
Oct 04, 2022
- Change outline in README. · d93a3844
  Baptiste Demoulin authored Oct 04, 2022
  
  d93a3844
- Update contributing and documentation. · 79f1cd90
  Baptiste Demoulin authored Oct 04, 2022
  
  79f1cd90
- Update Changelog. · 037777f3
  Baptiste Demoulin authored Oct 04, 2022
  
  037777f3
- Adapt the testsuite for autotools. · 5721368c
  Baptiste Demoulin authored Oct 04, 2022
  
  5721368c
- Remove permission change on input files. · 84f72de6
  Baptiste Demoulin authored Oct 04, 2022
  
  84f72de6
- Change the name of the program for help. · 48549da6
  Baptiste Demoulin authored Oct 04, 2022
  
  48549da6
- Correct bug on testsuite. · 9044eb50
  Baptiste Demoulin authored Oct 04, 2022
  9044eb50
Oct 03, 2022
- Remove commented lines. · dae4655a
  Baptiste Demoulin authored Oct 03, 2022
  
  dae4655a
- Update the guidelines for developpers. · cce2ecea
  Baptiste Demoulin authored Oct 03, 2022
  
  cce2ecea
- Update CHANGELOG. · f9d19d21
  Baptiste Demoulin authored Oct 03, 2022
  
  f9d19d21
- Update the manual. · 5f6c8a8d
  Baptiste Demoulin authored Oct 03, 2022
  
  5f6c8a8d
Sep 30, 2022
- Add a module for handling the list of implemented interfaces. · 45d01a8a
  Baptiste Demoulin authored Sep 30, 2022
  45d01a8a
- Update CHANGELOG and gitlab-ci. · 056bb437
  Baptiste Demoulin authored Sep 30, 2022
  
  056bb437
- Prevent phase correction when using analytical models. · ba529be9
  Baptiste Demoulin authored Sep 30, 2022
  
  ba529be9
- Update Changelog. · 54f80c2c
  Baptiste Demoulin authored Sep 30, 2022
  
  54f80c2c
- Add dry-run capacity for nx_moldyn. · 192c46ec
  Baptiste Demoulin authored Sep 30, 2022
  
  192c46ec
- Correct bug in restart file writing. · b95b610d
  Baptiste Demoulin authored Sep 30, 2022
  b95b610d
- Change the name of created executables. · 02427c59
  Baptiste Demoulin authored Sep 30, 2022
  02427c59
- Correct the backup of QM data. · d283de54
  Baptiste Demoulin authored Sep 29, 2022
  d283de54
- Correct bug with MOPAC interface. · ee66c9b9
  Baptiste Demoulin authored Sep 29, 2022
  ee66c9b9
- Update extractor. · e47293db
  Baptiste Demoulin authored Sep 29, 2022
  
  e47293db