Commits · master · James Kermode / ase · GitLab

Sep 29, 2020
- Merge branch 'molecule-docs' into 'master' · 059df1c5
  Ask Hjorth Larsen authored Sep 29, 2020
  059df1c5
- Fix sphinx formatting issue. · e3d35d24
  Andrew Peterson authored Sep 29, 2020
  e3d35d24
- Add some documentation to build.molecule. · 24f35a93
  Andrew Peterson authored Sep 29, 2020
  
  24f35a93
- Merge branch 'moldyn_units' into 'master' · 9b84d2a8
  Ask Hjorth Larsen authored Sep 29, 2020
  9b84d2a8
- Merge branch 'pickletrajectory-tests-and-fixes' into 'master' · fccaddf3
  Ask Hjorth Larsen authored Sep 29, 2020
  fccaddf3
- Merge branch 'master' into 'moldyn_units' · e5ce88f2
  Ask Hjorth Larsen authored Sep 29, 2020
  e5ce88f2
- Merge branch 'asap_new_import' into 'master' · 45b208f6
  Ask Hjorth Larsen authored Sep 29, 2020
  45b208f6
- remember to add assertion · e43769e1
  Ask Hjorth Larsen authored Sep 29, 2020
  
  e43769e1
- Support the new build method in upcoming version of Asap. · 5667e20d
  Jakob Schiøtz authored Sep 29, 2020
  
  5667e20d
- add integration test of old trajectory conversion utility · 6195616a
  Ask Hjorth Larsen authored Sep 29, 2020
  
  6195616a
- Merge branch 'docs-ecosystem' into 'master' · 904235ca
  Ask Hjorth Larsen authored Sep 29, 2020
  904235ca
- rename other projects to ASE Ecosystem · d4b77c6b
  Ask Hjorth Larsen authored Sep 29, 2020
  
  d4b77c6b
- Merge branch 'cluster-test' into 'master' · 618cc5d0
  Ask Hjorth Larsen authored Sep 29, 2020
  618cc5d0
- Merge branch 'wannier90-wout-format' into 'master' · 2494ce77
  Ask Hjorth Larsen authored Sep 29, 2020
  2494ce77
- Merge branch 'list-removed-features' into 'master' · c46c35fe
  Ask Hjorth Larsen authored Sep 29, 2020
  c46c35fe
Sep 28, 2020
- remember to add the actual file · 6f96df89
  Ask Hjorth Larsen authored Sep 28, 2020
  
  6f96df89
- DOC: add list of removed features · 7f537ec8
  Ask Hjorth Larsen authored Sep 28, 2020
  
  7f537ec8
- Merge branch 'delete-voids' into 'master' · 6e668074
  Ask Hjorth Larsen authored Sep 28, 2020
  6e668074
- Mark a few tests as slow. · 3f17f922
  Jakob Schiøtz authored Sep 28, 2020
  
  3f17f922
- Merge branch 'cif-warn-bad-occupancies' into 'master' · e98ce692
  Ask Hjorth Larsen authored Sep 28, 2020
  e98ce692
- Use serial for communicator to disable communications. · 608f7038
  Jakob Schiøtz authored Sep 28, 2020
  
  608f7038
- Fix indentation and other PEP-8 issues. Use Å for Ångström. · c7a8fd65
  Jakob Schiøtz authored Sep 28, 2020
  
  c7a8fd65
- Add note on units to releasenotes.txt · a8672d56
  Jakob Schiøtz authored Sep 28, 2020
  
  a8672d56
- clean comments · 8dffb273
  Ask Hjorth Larsen authored Sep 28, 2020
  
  8dffb273
- write a warning when writing a CIF and occupancy info is bad · 61513caf
  Ask Hjorth Larsen authored Sep 28, 2020
  
  61513caf
- Remove slow NPT test. · aa055bd2
  Jakob Schiøtz authored Sep 28, 2020
  
  aa055bd2
- Fix a pyflakes issue in Langevin test. · 164be2c1
  Jakob Schiøtz authored Sep 28, 2020
  
  164be2c1
- Remove or shorten slow MD tests. · 17257432
  Jakob Schiøtz authored Sep 28, 2020
  
  17257432
- Fix test · 5bbe59e8
  Jens Jørgen Mortensen authored Sep 28, 2020
  
  5bbe59e8
- Return dict instead of tuple · a6938449
  Jens Jørgen Mortensen authored Sep 28, 2020
  
  a6938449
- Release notes · fedcee41
  Jens Jørgen Mortensen authored Sep 28, 2020
  
  fedcee41
- Docstrings + hints · edc3e066
  Jens Jørgen Mortensen authored Sep 28, 2020
  
  edc3e066
Sep 27, 2020
- Beginning of test · 683ce7b8
  Jens Jørgen Mortensen authored Sep 27, 2020
  
  683ce7b8
- Merge branch 'cleanup-old-functions' into 'master' · 16e52f06
  Ask Hjorth Larsen authored Sep 27, 2020
  16e52f06
Sep 26, 2020
- remove global variable · 66b1d096
  Ask Hjorth Larsen authored Sep 26, 2020
  
  66b1d096
- reduce duplicate code · 1d6116bc
  Ask Hjorth Larsen authored Sep 26, 2020
  
  1d6116bc
- autopep8 · 1ca387ab
  Ask Hjorth Larsen authored Sep 26, 2020
  
  1ca387ab
- autopep8 · dffb6ddc
  Ask Hjorth Larsen authored Sep 26, 2020
  
  dffb6ddc
- add test of decahedral clusters. I do not know how many corners etc. we... · 631b5402
  Ask Hjorth Larsen authored Sep 26, 2020
  631b5402
- autopep8 · 46f2622e
  Ask Hjorth Larsen authored Sep 26, 2020
  
  46f2622e