Commits · v0.3.7 · ccp5 / dlpoly-py

Browse files

Jan 24, 2023
- create version 0.3.7 · d61f05cf
  Alin Elena authored Jan 24, 2023
  
  View commits for tag v0.3.7 v0.3.7
  
  d61f05cf
- Merge branch 'path-to-pathlib' into 'devel' · 680ad6be
  Alin Marin Elena authored Jan 24, 2023
  680ad6be
- Replace os.path with modern pathlib · 955c0ac5
  Jacob Wilkins authored Jan 24, 2023
  
  955c0ac5
- Merge branch 'move-to-popen' into 'devel' · 64283cc1
  Alin Marin Elena authored Jan 24, 2023
  64283cc1
- Replace subprocess ops with Popen · 8ed18c26
  Jacob Wilkins authored Jan 24, 2023
  
  8ed18c26
Oct 04, 2022
- fix mpi · 19191f2f
  Alin Elena authored Oct 04, 2022
  
  19191f2f
- Merge branch 'mpi_hotfix' into 'devel' · 3267a16b
  Alin Marin Elena authored Oct 04, 2022
  3267a16b
- Fix mpi issues raised by Maciej · 4b5c4002
  Jacob Wilkins authored Oct 04, 2022
  
  4b5c4002
Sep 16, 2022
- bump version · a18348fa
  Alin Elena authored Sep 16, 2022
  
  View commits for tag v0.3.5 v0.3.5
  a18348fa
- Merge branch 'fixes' into 'devel' · 844ee69d
  Alin Marin Elena authored Sep 16, 2022
  844ee69d
- steps are integers · 000cde92
  Alin Elena authored Sep 16, 2022
  
  000cde92
Sep 14, 2022
- Merge branch 'add_mpi_helpers' into 'devel' · 2aec5ed4
  Alin Marin Elena authored Sep 14, 2022
  2aec5ed4
- Add MPI helpers to spawn jobs correctly · c1aa4e45
  Jacob Wilkins authored Sep 14, 2022
  
  c1aa4e45
Jul 13, 2022
- Fix warning message · 345ca3b1
  Jacob Wilkins authored Jul 13, 2022
  
  345ca3b1
Apr 28, 2022
- bump to version 0.3.4 · 0c05e10c
  alin m elena authored Apr 28, 2022
  
  View commits for tag v0.3.4 v0.3.4
  0c05e10c
- Merge branch 'fix-destconfig' into 'devel' · 9be9be79
  Alin Marin Elena authored Apr 28, 2022
  9be9be79
- Fix dest_config · ce43b360
  Jacob Wilkins authored Apr 28, 2022
  
  ce43b360
- Merge branch 'strict' into 'devel' · deb84f54
  Jacob Wilkins authored Apr 28, 2022
  deb84f54
- Add from_dict, improve strict · fc56e683
  Jacob Wilkins authored Apr 28, 2022
  
  fc56e683
Jan 27, 2022
- tag 0.3.3 · f86f4333
  Alin Elena authored Jan 27, 2022
  
  View commits for tag v0.3.3 v0.3.3
  f86f4333
- Sort finishes · 9987f81d
  Jacob Wilkins authored Jan 27, 2022
  
  9987f81d
- tag 0.3.2 · cb34a619
  Alin Elena authored Jan 27, 2022
  
  View commits for tag v0.3.2 v0.3.2
  cb34a619
- Fix field sorting breaking constraints · b29d3723
  Jacob Wilkins authored Jan 27, 2022
  
  b29d3723
Jan 26, 2022
- tag 0.3.1 · 88108ebf
  Alin Elena authored Jan 26, 2022
  
  View commits for tag v0.3.1 v0.3.1
  88108ebf
- tag 0.3.0 · 5b14c965
  Alin Elena authored Jan 25, 2022
  
  5b14c965
- Update field.py · cb3c55b7
  Jacob Wilkins authored Jan 26, 2022
  
  cb3c55b7
Jan 25, 2022
- fix field not finishing atom description block · 4fbd3d58
  Alin Elena authored Jan 25, 2022
  
  4fbd3d58
- Fix bug with molecule counting · 7eefd19d
  Jacob Wilkins authored Jan 25, 2022
  
  7eefd19d
Nov 26, 2021
- tag 0.2.9 · 32a94c27
  Alin Elena authored Nov 26, 2021
  
  View commits for tag v0.2.9 v0.2.9
  32a94c27
- Merge branch 'fix-nfold' into 'devel' · 2868d5c4
  Jacob Wilkins authored Nov 26, 2021
  2868d5c4
- Fix nfold · b735ee78
  Jacob Wilkins authored Nov 26, 2021
  
  b735ee78
- Merge branch 'test' into 'devel' · a8db1977
  Jacob Wilkins authored Nov 26, 2021
  a8db1977
- add exe · 99cdf9b5
  Alin Marin Elena authored Nov 26, 2021 and Jacob Wilkins committed Nov 26, 2021
  
  99cdf9b5
- f · 653ecbb3
  Alin Elena authored Nov 26, 2021
  
  653ecbb3
- add exe · 5e1a9d45
  Alin Elena authored Nov 26, 2021
  
  5e1a9d45
- tag 0.2.8 · f182fa68
  Alin Elena authored Nov 26, 2021
  
  View commits for tag v0.2.8 v0.2.8
  f182fa68
Nov 25, 2021
- Appease flake · e25aa8c5
  Jacob Wilkins authored Nov 25, 2021
  
  e25aa8c5
- Fix workdir · a659d460
  Jacob Wilkins authored Nov 25, 2021
  
  a659d460
- tag 0.2.7 · 4fdc498b
  Alin Elena authored Nov 25, 2021
  
  View commits for tag v0.2.7 v0.2.7
  4fdc498b
- Add defensive lines · bda13aad
  Jacob Wilkins authored Nov 25, 2021
  
  bda13aad