Commits · pydoc · James Graham / pycgtool · GitLab

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Apr 20, 2021
- docs: clean docs files no longer necessary · dfc50491
  James Graham authored 4 years ago
  
  dfc50491
Apr 19, 2021
- docs: update tutorial page · c6ab02b3
  James Graham authored 4 years ago
  
  c6ab02b3
Mar 27, 2021
- build(docs): attempt fix of base URL for gh-pages · b42e8754
  James Graham authored 4 years ago
  
  b42e8754
- build(docs): remove /public from gitignore · d3a82175
  James Graham authored 4 years ago
  d3a82175
- build(docs): set gh-pages base url in pydoc config · dfdc0250
  James Graham authored 4 years ago
  
  dfdc0250
- ci: add gh-pages build job for docs · bf931993
  James Graham authored 4 years ago
  
  bf931993
- docs: add initial setup for pydoc-markdown · aa7b0883
  James Graham authored 4 years ago
  aa7b0883
Mar 19, 2021
- docs: convert tutorial to markdown · 5ffe7d46
  James Graham authored 4 years ago
  
  5ffe7d46
- docs: WIP move to markdown based docs · ff39650e
  James Graham authored 4 years ago
  
  ff39650e
- style: resolve mypy complaints in parsers · 55d5faac
  James Graham authored 4 years ago
  
  55d5faac
- docs: move to Sphinx config without subdirs · 1086fe1d
  James Graham authored 4 years ago
  
  1086fe1d
Mar 18, 2021
- Merge remote-tracking branch 'origin/master' into dev · 14d5d9ab
  James Graham authored 4 years ago
  
  14d5d9ab
- Merge pull request #41 from jag1g13/backmapping · 78615ae7
  James Graham authored 4 years ago
  78615ae7
- refactor: split up main init method · 320e7da2
  James Graham authored 4 years ago
  
  320e7da2
- fix: cast unitcell to float32 to avoid numpy warn · a89d2cee
  James Graham authored 4 years ago
  
  a89d2cee
Mar 17, 2021
- refactor: add warning that backmap is experimental · 6f42f355
  James Graham authored 4 years ago
  6f42f355
- fix(ci): remove unused numpy import · bb276195
  James Graham authored 4 years ago
  
  bb276195
- refactor: add backmapper resname to CLI · 4639bcd6
  James Graham authored 4 years ago
  
  4639bcd6
- build: downgrade astunparse due to MDTraj issue · 65d1b348
  James Graham authored 4 years ago
  65d1b348
Feb 21, 2021
- style: resolve a couple of linting complaints · b19c5324
  James Graham authored 4 years ago
  
  b19c5324
Feb 20, 2021
- fix: update tests to match refactoring in __main__ · 0dbce7d5
  James Graham authored 4 years ago
  
  0dbce7d5
- refactor: clean up flow in __main__ · 2992e1da
  James Graham authored 4 years ago
  
  2992e1da
- refactor: move __main__ code into class · 45500a20
  James Graham authored 4 years ago
  45500a20
Feb 19, 2021
- feat: add initial trial for backmapping · ab970108
  James Graham authored 4 years ago
  ab970108
- Merge pull request #40 from jag1g13/clean-build · 34031173
  James Graham authored 4 years ago
  34031173
- build: bump numpy to 1.20 on Python >3.7 · 7a8a2036
  James Graham authored 4 years ago
  7a8a2036
- build: bump MDTraj to 1.9.5 · 4cbd8308
  James Graham authored 4 years ago
  4cbd8308
- ci: back to macos-latest - macos 11 is now private · 74a20c97
  James Graham authored 4 years ago
  
  74a20c97
- ci: use poetry directly in CI build - skip make · 200a2c0d
  James Graham authored 4 years ago
  
  200a2c0d
- build: move optional dependencies to dev-deps · 89f9ac55
  James Graham authored 4 years ago
  
  89f9ac55
Jan 25, 2021
- docs: fix typo'd parameter in README file · a3e3365f
  James Graham authored 4 years ago
  
  a3e3365f
Nov 26, 2020
- refactor: prettify console output · cf304275
  James Graham authored 4 years ago
  
  cf304275
Nov 25, 2020
- refactor: add --no option for boolean arguments · d750aa70
  James Graham authored 4 years ago
  
  d750aa70
- refactor: remove progress bar from Boltzmann inv · 096d4c55
  James Graham authored 4 years ago
  096d4c55
Nov 22, 2020
- build: bump prerelease version number · 329482a1
  James Graham authored 4 years ago
  
  329482a1
- docs: update documentation with new usage · 75c5c43b
  James Graham authored 4 years ago
  
  75c5c43b
- refactor: rename top and traj inputs · 81c6efcf
  James Graham authored 4 years ago
  
  81c6efcf
- Merge branch 'expand-ci' into dev · 4aa4d83a
  James Graham authored 4 years ago
  
  4aa4d83a
- docs: update readme to reflect fixed MDTraj bug · 55798cd8
  James Graham authored 4 years ago
  
  55798cd8
Nov 08, 2020
- docs: add note to README about MDTraj on macOS · 96fa6b96
  James Graham authored 4 years ago
  
  96fa6b96