Commits · v4.10.0-rc · Alexey Ivanov / dl-poly · GitLab

Aug 14, 2020
- Merge branch 'half_halo' into 'devel' · d8d870ad
  Alin M Elena authored Aug 14, 2020
  View commits for tag v4.10.0-rc v4.10.0-rc
  d8d870ad
- conditional compilation halfhalo, adds -DWITH_HALF_HALO · 37a3e389
  Alin Marin Elena authored Aug 14, 2020
  
  37a3e389
- Merge branch 'issue515-KIM-style' into 'devel' · 7bef845e
  Alin M Elena authored Aug 14, 2020
  7bef845e
- issue515: Optimisation: link-cell / NL 'half-halo' look-up -> shorter NL,... · 328d192f
  Ilian Todorov authored Aug 14, 2020
  328d192f
- Merge branch 'fix_mpi_serial' into 'devel' · bef9cefd
  Alin M Elena authored Aug 14, 2020
  bef9cefd
- fix the mpi dummy for serial · 8d2f3548
  Alin Marin Elena authored Aug 14, 2020
  
  8d2f3548
Aug 12, 2020
- Merge branch 'fix_io' into 'devel' · 9b769f34
  Alin M Elena authored Aug 12, 2020
  9b769f34
- fix tabeam and tabvdw · d94a9b1d
  Alin Marin Elena authored Aug 12, 2020
  
  d94a9b1d
- Merge branch 'issue-575' into 'devel' · bfeebdb9
  Alin M Elena authored Aug 12, 2020
  bfeebdb9
- Fix Issue #575 · 68e2caac
  Jacob Wilkins authored Aug 12, 2020
  
  68e2caac
Aug 03, 2020
- Merge branch 'finalisers' into 'devel' · 91f26445
  Alin M Elena authored Aug 03, 2020
  91f26445
- Add finalisers to new types · 730ed9c3
  Jacob Wilkins authored Aug 03, 2020
  
  730ed9c3
Jul 30, 2020
- Merge branch 'vals' into 'devel' · 158970ad
  Alin M Elena authored Jul 30, 2020
  158970ad
Jul 29, 2020
- update testing scripts to new versions of the modules · 9a669625
  Alin M Elena authored Jul 29, 2020
  
  9a669625
- remove global module variables and save attributes, fixes #558 · 6b90fd25
  Alin Marin Elena authored Jul 29, 2020
  
  6b90fd25
Jul 28, 2020
- Merge branch 'issue572' into 'devel' · 4a8a1319
  Alin M Elena authored Jul 28, 2020
  4a8a1319
- allow name changes ofr tabulated inputs fixes #572 · 27c8a096
  Alin Marin Elena authored Jul 27, 2020
  
  27c8a096
Jul 27, 2020
- Merge branch 'issue_571' into 'devel' · 07e75541
  Alin M Elena authored Jul 27, 2020
  07e75541
- be flexible with rdfdat and msdtmp filenames fixes #571 · 9dc660ec
  Alin Marin Elena authored Jul 27, 2020
  
  9dc660ec
- Merge branch 'rdf' into 'devel' · 5a448aee
  Alin M Elena authored Jul 27, 2020
  5a448aee
Jul 26, 2020
- keep yaml happy for rdfs · e7c2df2b
  Alin Marin Elena authored Jul 26, 2020
  
  e7c2df2b
- Merge branch 'yml' into 'devel' · 59fb57d1
  Alin M Elena authored Jul 26, 2020
  59fb57d1
- add yml_rdf option to allow rdf to be written in yaml formal, also moves n(r)... · 9ee0378d
  Alin Marin Elena authored Jul 26, 2020
  9ee0378d
- add yml_statis to allow yaml compliant statis, fixes #569 · 9cf94de6
  Alin Marin Elena authored Jul 26, 2020
  
  9cf94de6
Jul 24, 2020
- Merge branch 'statis_re' into 'devel' · 51df5402
  Alin M Elena authored Jul 24, 2020
  51df5402
- keep valgrind happy on control fixes #568 · 1253a30b
  Alin Marin Elena authored Jul 24, 2020
  
  1253a30b
- fix #567 · 24f6378b
  Alin Marin Elena authored Jul 22, 2020
  
  24f6378b
- swap stress and amsd in the statis fixes #566 · b3d2a2ea
  Alin Marin Elena authored Jul 22, 2020
  
  b3d2a2ea
Jul 21, 2020
- Merge branch 'dftb_19_2_api/app_test' into 'devel' · 85d40db9
  Alin M Elena authored Jul 21, 2020
  85d40db9
- Dftb 19 2 api/app test · e3856023
  Alexander Buccheri authored Jul 21, 2020
  
  e3856023
Jul 20, 2020
- Merge branch 'ljf' into 'devel' · 09ee0b54
  Alin M Elena authored Jul 20, 2020
  09ee0b54
- Merge branch 'kin' into 'devel' · 34d9f4ca
  Alin M Elena authored Jul 20, 2020
  34d9f4ca
- kinetic energy per particle in pp dump · ae25f78a
  Alin Marin Elena authored Jul 20, 2020
  
  ae25f78a
Jul 18, 2020
- Merge branch 'ters' into 'devel' · f802d1f0
  Jacob Wilkins authored Jul 18, 2020
  f802d1f0
- tersoff non magic numbers fixes #563 · d7c1dce0
  Alin Marin Elena authored Jul 18, 2020
  
  d7c1dce0
- nfold stops now after finished... bo footer printed fixes #551 · 7b6fba62
  Alin Marin Elena authored Jul 18, 2020
  
  7b6fba62
- add LJ generalised by Frenkel fixes #564 · 4b83952d
  Alin Marin Elena authored Jul 17, 2020
  
  4b83952d
Jul 17, 2020
- Merge branch 'add_reverted' into 'devel' · 7dd83e48
  Jacob Wilkins authored Jul 18, 2020
  7dd83e48
- add proper when pp is involved, extend pp dump, fixes #562 · f9526985
  Alin Marin Elena authored Jul 17, 2020
  
  f9526985
- Merge branch 'align_pp' into 'devel' · d0ae1a1f
  Jacob Wilkins authored Jul 17, 2020
  d0ae1a1f