Commits · 1.2 · Jesper Byggmästar / calorine · GitLab

Sep 20, 2022
- Merge branch '35-release-1.2' into 'master' · 0d95a56b
  Paul Erhart authored Sep 20, 2022
  View commits for tag 1.2 1.2
  
  0d95a56b
- Release 1.2 · 5e8e04bd
  Paul Erhart authored Sep 20, 2022
  
  5e8e04bd
- Merge branch 'specify-python-in-config' into 'master' · 55e980c1
  Paul Erhart authored Sep 20, 2022
  55e980c1
- Upgrade minimum python version to 3.8 · d759b01a
  Eric Lindgren authored Sep 20, 2022 and Paul Erhart committed Sep 20, 2022
  
  d759b01a
- Merge branch '27-restructuring-submodules' into 'master' · c7713067
  Paul Erhart authored Sep 20, 2022
  c7713067
- Restructuring of submodules · 4ca64cf9
  Paul Erhart authored Sep 20, 2022
  
  4ca64cf9
Sep 18, 2022
- Merge branch 'nepy-stresses' into 'master' · e76070c0
  Paul Erhart authored Sep 18, 2022
  e76070c0
- Added stresses in CPUNEP calculator · 1c2007ee
  Eric Lindgren authored Sep 18, 2022 and Paul Erhart committed Sep 18, 2022
  
  1c2007ee
Sep 07, 2022
- Merge branch '16-remove-convert_gpumd_run_to_traj' into 'master' · 5a61a855
  Erik Fransson authored Sep 07, 2022
  5a61a855
Sep 03, 2022
- Removed unused code related to convert_gpumd_run_to_traj · 7d0445cf
  Paul Erhart authored Sep 03, 2022
  
  7d0445cf
Sep 02, 2022
- Merge branch 'add-nep-io-functions' into 'master' · fc3fe1ea
  Paul Erhart authored Sep 02, 2022
  fc3fe1ea
- Added functionality for preparing nep input files · 1b63a4c5
  Paul Erhart authored Sep 02, 2022
  
  1b63a4c5
Jul 06, 2022
- Merge branch 'move-cpunep-tutorial' into 'master' · 9c3a264e
  Paul Erhart authored Jul 06, 2022
  9c3a264e
- Move cpunep tutorial · 52dec656
  Eric Lindgren authored Jul 06, 2022 and Paul Erhart committed Jul 06, 2022
  
  52dec656
Jun 29, 2022
- Merge branch 'fix-link-in-documentation' into 'master' · 25e02f75
  Paul Erhart authored Jun 29, 2022
  25e02f75
- Fixed link to gitlab (source repo) · 0463cbcb
  Paul Erhart authored Jun 29, 2022
  
  0463cbcb
Jun 28, 2022
- Merge branch 'remove-outdated-analysis-module' into 'master' · f86e753c
  Paul Erhart authored Jun 28, 2022
  f86e753c
- Removed outdated analysis module · dae17274
  Paul Erhart authored Jun 28, 2022
  
  dae17274
- Merge branch 'add-tutorials-to-ci' into 'master' · 09065107
  Paul Erhart authored Jun 28, 2022
  09065107
- Added job for testing tutorial notebooks to CI · 76a1d8e0
  Paul Erhart authored Jun 28, 2022
  
  76a1d8e0
Jun 23, 2022
- Merge branch 'fixes-to-documentation' into 'master' · b68e397d
  Paul Erhart authored Jun 23, 2022
  b68e397d
- Fixes to documentation · c4af1872
  Paul Erhart authored Jun 23, 2022
  
  c4af1872
Jun 22, 2022
- Merge branch 'run-pages-job-on-tags' into 'master' · e6bedef7
  Paul Erhart authored Jun 22, 2022
  e6bedef7
- Make pages job run also for tags · 0c316ce4
  Paul Erhart authored Jun 22, 2022
  
  0c316ce4
- Merge branch 'release-1.1' into 'master' · 828e3cd3
  Paul Erhart authored Jun 22, 2022
  View commits for tag 1.1 1.1
  
  828e3cd3
- Release 1.1 · ac274b1f
  Paul Erhart authored Jun 22, 2022
  
  ac274b1f
- Merge branch 'nepy-tutorial' into 'master' · 729bf679
  Paul Erhart authored Jun 22, 2022
  729bf679
- Add Nepy tutorial and fix system change bug · 55cd4b81
  Eric Lindgren authored Jun 22, 2022 and Paul Erhart committed Jun 22, 2022
  
  55cd4b81
Jun 15, 2022
- Merge branch 'use-temporary-file-instead-of-osdevnull' into 'master' · a257c25a
  Magnus Rahm authored Jun 15, 2022
  a257c25a
- Use TemporaryFile instead of os.devnull to redirect stdout · 6a7e9bbd
  Magnus Rahm authored Jun 15, 2022
  
  6a7e9bbd
- Merge branch 'avoid-first-checkout' into 'master' · ee67582c
  Magnus Rahm authored Jun 15, 2022
  ee67582c
- Update .gitlab-ci.yml file · ef9f2ecb
  Magnus Rahm authored Jun 15, 2022
  
  ef9f2ecb
- Merge branch 'fix-import-error' into 'master' · 6a5a998d
  Magnus Rahm authored Jun 15, 2022
  6a5a998d
- Fix import error in tutorial · 786f066e
  Magnus Rahm authored Jun 15, 2022
  
  786f066e
- Merge branch 'fix-import-error' into 'master' · 9c375be4
  Magnus Rahm authored Jun 15, 2022
  9c375be4
- Fix import error in calculator tutorial · a9746dd1
  Magnus Rahm authored Jun 15, 2022
  
  a9746dd1
- Merge branch 'in-memory-calculator' into 'master' · 8d83d307
  Magnus Rahm authored Jun 15, 2022
  8d83d307
- ASE calculator for CPU version of NEP · e58310b1
  Eric Lindgren authored Jun 15, 2022 and Magnus Rahm committed Jun 15, 2022
  
  e58310b1
May 30, 2022
- Merge branch '18-adapt-to-voigt-notation-for-stresses' into 'master' · d3317768
  Magnus Rahm authored May 30, 2022
  d3317768
- Adapted to switch in notation of stress in IO functions and calculator · f2269899
  Paul Erhart authored May 30, 2022 and Magnus Rahm committed May 30, 2022
  
  f2269899