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Commits on Nov 23, 2024

• Minor doc improvements

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  ce30dcd

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Commits on Oct 11, 2024

• Version 0.4

  hexane360

  committed
  798c824

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• Doc improvements

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  b41a0e5

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• More typing/CI fixes

  hexane360

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  888af9d

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• Docs fixes/updates

  hexane360

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  afd6a8e

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• Typing & CI fixes

  hexane360

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  fc023f2

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• Fix notebook tests

  hexane360

  committed
  e6ce3c1

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• Support compounds in make.random and alter.contaminate

  hexane360

  committed
  980126a

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• Support inferring formula unit from compounds

  hexane360

  committed
  05774d6

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Commits on Oct 4, 2024

• Polars version update

  hexane360

  committed
  da5d071

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• Polars version update

  hexane360

  committed
  aba34c1

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Commits on Jun 20, 2024

• Typing fixes

  hexane360

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  a28c52f

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• Restrict polars version

  hexane360

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  113d028

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• Numpy 2.0 compatibility

  hexane360

  committed
  6203439

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• Docs improvements

  hexane360

  committed
  884751c

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Commits on Apr 18, 2024

• Small typing fixes

  hexane360

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  e4bf300

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• Improved AffineTransform3D.transform speed

  hexane360

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  37331a0

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Commits on Apr 7, 2024

• Fixed QE output

  hexane360

  committed
  c439199

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Commits on Apr 6, 2024

• Docs improvements

  hexane360

  committed
  b16454a

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• Docs improvements & fixes

  hexane360

  committed
  efdc4b7

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• Move disloc -> defect. Add defect.stacking_fault

  hexane360

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  7666214

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Commits on Apr 5, 2024

• Typing fixes

  hexane360

  committed
  ff299b0

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• More I/O refactoring

  hexane360

  committed
  16f48c2

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• Some I/O refactoring

  hexane360

  committed
  3735a0a

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• Initial support for parsing LMP files

  hexane360

  committed
  5dea968

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• More validation in AtomSelection

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  committed
  a2360e2

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Commits on Apr 2, 2024

• Support lmp triclinic output, add tests

  hexane360

  committed
  e3c4142

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• Typing fixes

  hexane360

  committed
  e1874dd

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• Fix notebook tests

  hexane360

  committed
  decb7c0

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• Add make.stacking_sequence, add write_lmp to HasAtoms

  hexane360

  committed
  ee6cff5

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Commits on Feb 17, 2024

• Bump polars version, remove __dataframe_consortium_standard__

  hexane360

  committed
  fb56f50

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• Merged x,y,z cols into coords array. Fixed explode() on AtomCell

  hexane360

  committed
  517b4d4

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• Begun to support arbitrary eXYZ parameters

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  committed
  2b688d7

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• Delay scipy import

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  committed
  4f98ab9

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• Add Atoms.select_props. More AtomCell specializations

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  committed
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