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Development - #31

Merged

nedtaylor merged 60 commits into

mainfrom

development

Dec 18, 2024

Merged

Development#31
nedtaylor merged 60 commits into
mainfrom
development

Commits on Oct 31, 2024
- Update format
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  ffa9976
- Add files
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  255dc50
- Add installation guide
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  6851be8
- Add tutorial templates
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  e9688df
- Add issue templates
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  ffeb263
- Update README
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  committed
  54b16ae
- Tidy up examples
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  88a9cf3
- Update ignore list
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  fccc79f
Commits on Nov 1, 2024
- Handle NaNs in angles and dfs
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  aaaacf2
- Add bounds check
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  03202ef
- Change host setting
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  7632d25
- Add strip null for species setting
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  df74284
- Remove unused variable
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  0f1f8ef
- Improve gdf printing
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  8e9640a
- Change build name
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  4083bea
Commits on Nov 2, 2024
- Fix random placement viable boolean
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  67ef316
- Update tutorials
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  360855b
Commits on Nov 4, 2024
- Move readthedocs source files
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  22ba14f
- Include docstrings
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  e14c7a0
- Update docstrings
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  93a4644
Commits on Nov 5, 2024
- Add more structure handling implement evaluate
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  6a47a24
Commits on Nov 6, 2024
- Add atom division to evaluate
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  737468c
- Fix placement methods
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  c8b4bf9
- Fix element maps
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  155338d
Commits on Nov 21, 2024
- Add learning examples
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  2da59f2
Commits on Dec 2, 2024
- Add error and warning checks
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  5edf5c7
Commits on Dec 5, 2024
- Add bounding box
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  d1f2773
- Fix bounds default
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  162f496
- Add unrelaxed structure print
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  555130a
- Remove dev print
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  a4bcb3c
Commits on Dec 16, 2024
- Fix theme name
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  84bee23
- Fix theme
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  afad901
- Include requirements
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  2c890e5
- Add file
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  4829ed5
- Update links to ExeQuantCode
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  fb1b442
- Remove duplicate badge
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  9f6bd30
- Add bounds unit tests
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  d1f3e95
- Fix unit tests
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  7382d07
- Add file
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  authored
  fdee95e
- Update README.md
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  authored
  2d18be0
- Add file
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  committed
  d885d27
- Add file exist check
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  committed
  df281a1
- Fix settings printing
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  abc6cfc
- Change parallel process
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  a3cc027
- Remove trailing whitespace
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  committed
  18c052b
- Add unit tests
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  07624a3
- Add file
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  committed
  6eddd1b
- Handle settings read
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  committed
  d7fd04e
- Add unit tests
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  committed
  a144ba3
- Handle settings read
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  committed
  9dd89c0
- Add python unit tests
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  aa32650
- Update ignore list
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  committed
  2f9b0ab
- Fix uninitialised tolerance
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  4a73539
Commits on Dec 17, 2024
- Fix missing tolerance
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  1a322ad
- Add missing use statement
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  8c17d26
- Fix viability update
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  3be9ab2
- Fix indentation check
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  fa4d517
Commits on Dec 18, 2024
- Update example
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  a43eea1
- Update version number
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  committed
  4cdf115
- Update CITATION
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  committed
  bdf8f8a

Commits

Commits on Oct 31, 2024

Commits on Nov 1, 2024

Commits on Nov 2, 2024

Commits on Nov 4, 2024

Commits on Nov 5, 2024

Commits on Nov 6, 2024

Commits on Nov 21, 2024

Commits on Dec 2, 2024

Commits on Dec 5, 2024

Commits on Dec 16, 2024

Commits on Dec 17, 2024

Commits on Dec 18, 2024