Commits · v0.5.3 · ccp5 / dlpoly-py

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Mar 06, 2025
- Update .gitlab-ci.yml file · a0ecb45b
  Harvey Devereux authored Mar 06, 2025
  
  View commits for tag v0.5.3 v0.5.3
  
  a0ecb45b
- update version · 94ec6cab
  Alin Elena authored Mar 06, 2025
  
  View commits for tag v0.5.2 v0.5.2
  94ec6cab
- update version · e2aed119
  Alin Elena authored Mar 06, 2025
  
  e2aed119
- Merge branch 'zenodo_on_tag' into 'devel' · c400fc03
  Harvey Devereux authored Mar 06, 2025
  c400fc03
- Use only commit tag rule · eaf82aac
  Harvey Devereux authored Mar 06, 2025
  
  eaf82aac
- Merge branch 'zenodo_ci' into 'devel' · 79b4c120
  Harvey Devereux authored Mar 06, 2025
  79b4c120
- Zenodo ci · 395e057a
  Harvey Devereux authored Mar 06, 2025
  
  395e057a
- Merge branch 'add_zenodo' into 'devel' · 435c046c
  Alin Marin Elena authored Mar 06, 2025
  435c046c
- Add zenodo · c3f268fd
  Harvey Devereux authored Mar 06, 2025 and Alin Marin Elena committed Mar 06, 2025
  
  c3f268fd
Mar 04, 2025
- up version for release · 478dc8f1
  Alin Elena authored Mar 04, 2025
  
  View commits for tag v0.5.0 v0.5.0
  478dc8f1
Feb 20, 2025
- Merge branch 'issue_55' into 'devel' · 6d4f3061
  Alin Marin Elena authored Feb 20, 2025
  6d4f3061
- Fixes momentum density argument · 154adefe
  Harvey Devereux authored Feb 20, 2025
  
  154adefe
Feb 19, 2025
- Edit README.rst · 60aff728
  Alin Marin Elena authored Feb 19, 2025
  
  60aff728
- Edit pyproject.toml · 2091c625
  Alin Marin Elena authored Feb 19, 2025
  
  2091c625
Feb 12, 2025
- Merge branch 'fix_options' into 'devel' · bbbb37bc
  Alin Marin Elena authored Feb 12, 2025
  bbbb37bc
Feb 11, 2025
- Restore units for minimisation_tolerance · b9213362
  Harvey Devereux authored Feb 11, 2025
  
  b9213362
Feb 06, 2025
- Merge branch 'DPD_updates' into 'devel' · 2ba9adc7
  Alin Marin Elena authored Feb 06, 2025
  2ba9adc7
- Add the new CONTROL directives for charge smearing to the default new_control constructor · 96f1b59c
  Benjamin Speake authored Feb 06, 2025 and Alin Marin Elena committed Feb 06, 2025
  
  96f1b59c
Feb 05, 2025
- Merge branch 'update_params' into 'devel' · 1851c829
  Alin Marin Elena authored Feb 05, 2025
  1851c829
- Merge branch 'partial_statis' into 'devel' · 7e55af40
  Alin Marin Elena authored Feb 05, 2025
  7e55af40
- Add partial STATIS reading for default formatting · 78b0c66b
  Harvey Devereux authored Feb 05, 2025 and Alin Marin Elena committed Feb 05, 2025
  
  78b0c66b
Jan 27, 2025
- Fix correlation_update_frequency · 8856e245
  Harvey Devereux authored Jan 27, 2025
  
  8856e245
- Update with DLPOLY.Z --dump python · 3e20dbb9
  Harvey Devereux authored Jan 27, 2025
  
  3e20dbb9
Nov 20, 2024
- Update .gitlab-ci.yml · 03a4c3b7
  Alin Marin Elena authored Nov 20, 2024
  
  View commits for tag v0.4.1 v0.4.1
  03a4c3b7
- Merge branch 'pyproject-toml' into 'devel' · c53355f5
  Alin Marin Elena authored Nov 20, 2024
  c53355f5
- Change to pyproject.toml form · 224ae9e2
  Jacob Wilkins authored Jun 25, 2024
  
  224ae9e2
- Merge branch 'update_currents_format' into 'devel' · 955c8e54
  Alin Marin Elena authored Nov 20, 2024
  955c8e54
- Update currents format · 99a987ac
  Harvey Devereux authored Nov 20, 2024 and Alin Marin Elena committed Nov 20, 2024
  
  99a987ac
Jul 24, 2024
- Merge branch 'numpy-documentation' into 'devel' · f9e12666
  Jacob Wilkins authored Jul 24, 2024
  f9e12666
- Update docs to numpydoc style · c727b0e1
  Jacob Wilkins authored Jun 06, 2024
  
  c727b0e1
- Merge branch 'fix-default-load' into 'devel' · 303c8a32
  Jacob Wilkins authored Jul 24, 2024
  303c8a32
Jun 14, 2024
- Add option to disable loading default params · b4c7c844
  Jacob Wilkins authored Jun 14, 2024
  
  b4c7c844
Jun 07, 2024
- Merge branch 'support_currents' into 'devel' · 2bc91c37
  Alin Marin Elena authored Jun 07, 2024
  2bc91c37
- Fix currents setting, restore in NewControl::write · fff6cc01
  Harvey Devereux authored Jun 07, 2024 and Alin Marin Elena committed Jun 07, 2024
  
  fff6cc01
Jun 05, 2024
- Merge branch 'nacl' into 'devel' · e1923e17
  Alin Marin Elena authored Jun 05, 2024
  e1923e17
- Apply 1 suggestion(s) to 1 file(s) · 3ae7f11b
  Alin Marin Elena authored Jun 05, 2024 and Alin Elena committed Jun 05, 2024
  3ae7f11b
- update · 04c70b83
  Alin Marin Elena authored Jan 11, 2024 and Alin Elena committed Jun 05, 2024
  
  04c70b83
- add nacl self contained example using ase and dlpoly-py · bb29bfff
  Alin Marin Elena authored Jan 11, 2024 and Alin Elena committed Jun 05, 2024
  
  bb29bfff
- Merge branch 'water' into 'devel' · c1c5699d
  Alin Marin Elena authored Jun 05, 2024
  c1c5699d
- Merge branch 'fix_calculator' into 'devel' · baf652fa
  Alin Marin Elena authored Jun 05, 2024
  baf652fa