Commits · devel · Neil Mathias / dl-poly

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May 07, 2022
- Update .gitlab-ci.yml file · 79687edf
  Neil Mathias authored May 07, 2022
  
  79687edf
- Update .gitlab-ci.yml file · 761ddcbf
  Neil Mathias authored May 07, 2022
  
  761ddcbf
May 05, 2022
- automate version · 4f033dc6
  alin m elena authored May 05, 2022
  
  4f033dc6
May 04, 2022
- update build instructions · 5ad9c9de
  alin m elena authored May 04, 2022
  
  5ad9c9de
Apr 29, 2022
- enable chemshell interfaced in tests · 57389715
  alin m elena authored Apr 29, 2022
  
  57389715
Apr 27, 2022
- Fixed a bug in the previous commit · 26083beb
  You Lü authored Apr 27, 2022
  
  26083beb
- Updated dl_poly_interface.F90 against the latest devel version · c58ed84c
  You Lü authored Apr 27, 2022
  
  c58ed84c
Apr 26, 2022
- Add printing of units to OUTPUT · 1f0bb6ea
  Jacob Wilkins authored Apr 26, 2022
  
  1f0bb6ea
Apr 23, 2022
- add easybuild recipes · da91003e
  alin m elena authored Apr 23, 2022
  
  da91003e
- enforce plumed version in testing too · fa7f9af2
  alin m elena authored Apr 23, 2022
  
  fa7f9af2
- enforce plumed version · 764298f6
  alin m elena authored Apr 23, 2022
  
  764298f6
- Cleanup 4 · 33f99044
  Alin Marin Elena authored Apr 23, 2022
  
  33f99044
- Cleanup 4 · 514b0193
  Alin Marin Elena authored Apr 23, 2022
  
  View commits for tag 5.1.0 5.1.0
  
  514b0193
- cleanup module names · aa6f5734
  Alin Marin Elena authored Apr 23, 2022
  
  aa6f5734
- Cleanup 3 · ad2fb0fd
  Alin Marin Elena authored Apr 23, 2022
  
  ad2fb0fd
Apr 22, 2022
- add all supported units in control · c1c8f02e
  alin m elena authored Apr 22, 2022
  
  c1c8f02e
- start to add missing units · 7dbdb6e0
  Alin Marin Elena authored Apr 22, 2022
  
  7dbdb6e0
Apr 20, 2022
- Merge branch 'out_units_revamp' into 'devel' · f5341529
  Alin Marin Elena authored Apr 20, 2022
  f5341529
- Out units revamp · 2e4b9894
  Jacob Wilkins authored Apr 20, 2022
  
  2e4b9894
Mar 30, 2022
- Merge branch 'debug3' into 'devel' · 5018263b
  Alin Marin Elena authored Mar 30, 2022
  5018263b
- fixes #2000 only master shall print warnings... maybe investigate general... · f91042cc
  alin m elena authored Mar 30, 2022
  f91042cc
Mar 26, 2022
- Merge branch 'debug2' into 'devel' · ef6509b5
  Alin Marin Elena authored Mar 26, 2022
  ef6509b5
- create a separate debug mode for fsanitize and also remove finaliser from... · e8258892
  alin m elena authored Mar 26, 2022
  e8258892
- Merge branch 'debug' into 'devel' · 74405565
  Alin Marin Elena authored Mar 26, 2022
  74405565
- add more agressive debug options, work with newer versions of gcc 8 and above · 0cee145d
  alin m elena authored Mar 26, 2022
  
  0cee145d
- Merge branch 'devel' into 'devel' · 3b57ffeb
  Alin Marin Elena authored Mar 26, 2022
  3b57ffeb
- document the cli and fix unit tests · 43bdf85c
  alin m elena authored Mar 26, 2022
  
  43bdf85c
Mar 25, 2022
- Merge branch 'vdw' into 'devel' · e254b949
  Alin Marin Elena authored Mar 25, 2022
  e254b949
- cleanup output add density information and some units, more to follow · a74c7205
  alin m elena authored Mar 25, 2022
  
  a74c7205
- Merge branch 'help' into 'devel' · 921589b4
  Alin Marin Elena authored Mar 25, 2022
  921589b4
- fix new bounds for non periodic and slab, fixes #1992 · 860af183
  alin m elena authored Mar 25, 2022
  
  860af183
Mar 24, 2022
- Merge branch 'minim2' into 'devel' · b91caf66
  Alin Marin Elena authored Mar 24, 2022
  b91caf66
- remove spurious minim% fixes #1991 · bb3572d6
  alin m elena authored Mar 24, 2022
  
  bb3572d6
- Merge branch 'serial' into 'devel' · c8e3c232
  Alin Marin Elena authored Mar 24, 2022
  c8e3c232
- clean various compiler warnings · 5eb3c80c
  alin m elena authored Mar 24, 2022
  
  5eb3c80c
Mar 16, 2022
- Merge branch 'dump' into 'devel' · d05504b1
  Alin Marin Elena authored Mar 16, 2022
  d05504b1
- --help and --dump print now on screen all the params · 852217a8
  alin m elena authored Mar 16, 2022
  
  852217a8
Feb 18, 2022
- Merge branch 'sw2' into 'devel' · 57adc87f
  Alin Marin Elena authored Feb 18, 2022
  57adc87f
- sw fix the virial sign · d62568ea
  alin m elena authored Feb 18, 2022
  
  d62568ea
Feb 17, 2022
- Merge branch 'sw' into 'devel' · e2b409ca
  Alin Marin Elena authored Feb 17, 2022
  e2b409ca