Commits · 1.6 · materials-modeling / calorine · GitLab

Apr 21, 2023
- Merge branch '64-release-1.6' into 'master' · 29e64b9f
  Paul Erhart authored Apr 21, 2023
  View commits for tag 1.6 1.6
  
  29e64b9f
- Release 1.6 · 84a470ab
  Paul Erhart authored Apr 21, 2023
  
  84a470ab
- Merge branch 'phono3py-tutorial' into 'master' · b155d637
  Paul Erhart authored Apr 21, 2023
  b155d637
- Tutorial on BTE calculations via phono3py · 2934f207
  Erik Fransson authored Apr 21, 2023 and Paul Erhart committed Apr 21, 2023
  
  2934f207
Apr 18, 2023
- Merge branch 'clean-up-read_structures' into 'master' · 32cea778
  Paul Erhart authored Apr 18, 2023
  32cea778
Apr 07, 2023
- Merge branch 'fixed-docstring-for-get_force_constants' into 'master' · b4cceb9b
  Paul Erhart authored Apr 07, 2023
  b4cceb9b
- Merge branch 'fixed-sphinx-version' into 'master' · 3fbcb50b
  Paul Erhart authored Apr 07, 2023
  3fbcb50b
- Fixed docstring of get_force_constants function · 01e52ee5
  Paul Erhart authored Apr 07, 2023
  
  01e52ee5
- Fixed sphinx version for CI to 5.3.0 · 69f16aed
  Paul Erhart authored Apr 07, 2023
  
  69f16aed
Mar 27, 2023
- Merge branch 'dipole-calculator' into 'master' · 50449cb6
  Eric Lindgren authored Mar 27, 2023
  50449cb6
- Dipole calculator · 449fbcc4
  Eric Lindgren authored Mar 27, 2023
  
  449fbcc4
Mar 15, 2023
- Merge branch 'add-stiffness-tutorial-to-documentation' into 'master' · 7adaeb39
  Paul Erhart authored Mar 15, 2023
  7adaeb39
- Inserted stiffness tutorial in documentation · ef69b598
  Paul Erhart authored Mar 15, 2023
  
  ef69b598
- Merge branch 'small-fixes-to-tutorials' into 'master' · e87bf1cf
  Paul Erhart authored Mar 15, 2023
  e87bf1cf
- Small fixes to tutorials · 4e564bfb
  Paul Erhart authored Mar 15, 2023
  
  4e564bfb
Mar 13, 2023
- Merge branch '58-release-1.5' into 'master' · 81a09fd5
  Paul Erhart authored Mar 13, 2023
  View commits for tag 1.5 1.5
  
  81a09fd5
- Incremented version to 1.5 · 20f22a41
  Paul Erhart authored Mar 13, 2023
  
  20f22a41
- Merge branch 'fix-docstring-get_rtc_from_hac' into 'master' · 5b4baec5
  Paul Erhart authored Mar 13, 2023
  5b4baec5
- Fixed docstring of get_rtc_from_hac · 0e49f569
  Paul Erhart authored Mar 13, 2023
  
  0e49f569
- Merge branch '51-add-tutorial-on-stiffness-tensor' into 'master' · 0ddc9b07
  Paul Erhart authored Mar 13, 2023
  0ddc9b07
- Added tutorial for the calculation of elastic stiffness tensors · bc96e3fd
  Paul Erhart authored Mar 13, 2023
  
  bc96e3fd
- Merge branch '57-raise-custom-error-for-failed-phonopy-import' into 'master' · 7d8ce6f1
  Paul Erhart authored Mar 13, 2023
  7d8ce6f1
Mar 12, 2023
- Added a custom error message when phonopy import fails · 9579beac
  Paul Erhart authored Mar 12, 2023
  
  9579beac
Mar 11, 2023
- Merge branch 'updated-custom-css' into 'master' · a6194a38
  Paul Erhart authored Mar 11, 2023
  a6194a38
- Added general theme import to custom.css · f4a29542
  Paul Erhart authored Mar 11, 2023
  
  f4a29542
- Merge branch 'add-cookie-warning' into 'master' · 3412ddd8
  Paul Erhart authored Mar 11, 2023
  3412ddd8
- Added cookie information · 5dfc6322
  Paul Erhart authored Mar 11, 2023
  
  5dfc6322
- Merge branch 'adjusting-tutorial-titles' into 'master' · ac977dab
  Paul Erhart authored Mar 11, 2023
  ac977dab
- Merge branch 'fix-kwargs-in-relax_structure' into 'master' · d21daf75
  Paul Erhart authored Mar 11, 2023
  d21daf75
- Fix kwargs in relax_structure · 0c160181
  Paul Erhart authored Mar 11, 2023
  
  0c160181
- Merge branch '45-calculation-of-phonon-properties' into 'master' · bfc39eae
  Paul Erhart authored Mar 11, 2023
  bfc39eae
- Added functionality for calculating phonon properties · 4c32eec5
  Paul Erhart authored Mar 11, 2023
  
  4c32eec5
Feb 28, 2023
- Adjusted tutorial titles · 9d981acb
  Paul Erhart authored Feb 28, 2023
  
  9d981acb
Feb 20, 2023
- Merge branch 'fixes-to-documentation' into 'master' · ab688cea
  Paul Erhart authored Feb 20, 2023
  ab688cea
- Fixes to documentation · 4874eb5c
  Paul Erhart authored Feb 20, 2023
  
  4874eb5c
- Merge branch 'include-pca-in-documentation' into 'master' · 323ef207
  Paul Erhart authored Feb 20, 2023
  323ef207
- Included tutorial on PCA in documentation · e36b70f5
  Paul Erhart authored Feb 20, 2023
  
  e36b70f5
- Merge branch 'add-gpu-tags-to-CI' into 'master' · e0e4e1e6
  Paul Erhart authored Feb 20, 2023
  e0e4e1e6
- Specified which CI jobs require GPU · d684b57a
  Paul Erhart authored Feb 20, 2023
  
  d684b57a
- Merge branch 'add-potential-reading-and-writing' into 'master' · 99dd23c4
  Paul Erhart authored Feb 20, 2023
  99dd23c4