Commits · 1.1 · materials-modeling / calorine · GitLab

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Jun 22, 2022
- 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
- Merge branch 'fixed-installation-instructions' into 'master' · ca863f24
  Magnus Rahm authored May 30, 2022
  ca863f24
May 27, 2022
- Removed "manual installation" instructions from documentation · 10d4599e
  Paul Erhart authored May 27, 2022
  
  10d4599e
May 21, 2022
- Merge branch '17-add-version-selection-to-documentation' into 'master' · e132e027
  Paul Erhart authored May 21, 2022
  e132e027
- Added version selection to documentation · 50cf86fc
  Paul Erhart authored May 21, 2022
  
  50cf86fc
May 20, 2022
- Merge branch 'release-1.0' into 'master' · eedb2ac9
  Paul Erhart authored May 20, 2022
  View commits for tag 1.0 1.0
  eedb2ac9
- Release 1.0 · 4aa1e0b1
  Paul Erhart authored May 20, 2022
  
  4aa1e0b1
- Merge branch 'calculator-tests' into 'master' · 8bb99640
  Magnus Rahm authored May 20, 2022
  8bb99640
- Tests for the ASE calculator · 5d8eeffb
  Magnus Rahm authored May 20, 2022
  
  5d8eeffb
- Merge branch 'nepy-compute' into 'master' · f9021633
  Magnus Rahm authored May 20, 2022
  f9021633
- Add per-atom energy, forces, and virials to NEPY interface · 47efa3bb
  Eric Lindgren authored May 20, 2022 and Magnus Rahm committed May 20, 2022
  
  47efa3bb
May 19, 2022
- Merge branch 'io-tests' into 'master' · 815fda06
  Paul Erhart authored May 19, 2022
  815fda06
- Tests for the IO module · b23ecc3d
  Eric Lindgren authored May 19, 2022 and Paul Erhart committed May 19, 2022
  
  b23ecc3d
- Merge branch 'expose-data-analysis-functions' into 'master' · eef54f80
  Magnus Rahm authored May 19, 2022
  eef54f80
- Expose data analysis functions · b1b94a70
  Magnus Rahm authored May 19, 2022
  
  b1b94a70
- Merge branch 'transparent-logo-ico' into 'master' · 95c0dc0c
  Magnus Rahm authored May 19, 2022
  95c0dc0c
- Transparent background in logo.ico · 58327a1f
  Magnus Rahm authored May 19, 2022
  
  58327a1f
- Merge branch 'tutorial-for-ase-calculator' into 'master' · c982cd04
  Paul Erhart authored May 19, 2022
  c982cd04
- Tutorial for the ASE calculator · 93cdefad
  Magnus Rahm authored May 19, 2022 and Paul Erhart committed May 19, 2022
  
  93cdefad
- Merge branch 'tests-for-data-analysis-module' into 'master' · 2966f416
  Magnus Rahm authored May 19, 2022
  2966f416
- Add tests of the data analysis module · d7af66ad
  Magnus Rahm authored May 19, 2022
  
  d7af66ad
May 17, 2022
- Merge branch 'spice-up-documentation' into 'master' · 1d2bbd68
  Paul Erhart authored May 17, 2022
  1d2bbd68
- Spice up documentation · 7e82b9d7
  Magnus Rahm authored May 17, 2022 and Paul Erhart committed May 17, 2022
  
  7e82b9d7
May 11, 2022
- Merge branch 'newmpy' into 'master' · a80007b3
  Paul Erhart authored May 11, 2022
  a80007b3
- Merge branch '7-docker-image-with-cuda-support' into 'master' · 13489e4e
  Magnus Rahm authored May 11, 2022
  13489e4e