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Commits on Jun 20, 2024

• Typing fixes

  hexane360

  committedJun 20, 2024
  a28c52f

• Restrict polars version

  hexane360

  committedJun 20, 2024
  113d028

• Numpy 2.0 compatibility

  hexane360

  committedJun 20, 2024
  6203439

• Docs improvements

  hexane360

  committedJun 20, 2024
  884751c

Commits on Apr 18, 2024

• Small typing fixes

  hexane360

  committedApr 18, 2024
  e4bf300

• Improved AffineTransform3D.transform speed

  hexane360

  committedApr 18, 2024
  37331a0

Commits on Apr 7, 2024

• Fixed QE output

  hexane360

  committedApr 7, 2024
  c439199

Commits on Apr 6, 2024

• Docs improvements

  hexane360

  committedApr 6, 2024
  b16454a

• Docs improvements & fixes

  hexane360

  committedApr 6, 2024
  efdc4b7

• Move disloc -> defect. Add defect.stacking_fault

  hexane360

  committedApr 6, 2024
  7666214

Commits on Apr 5, 2024

• Typing fixes

  hexane360

  committedApr 5, 2024
  ff299b0

• More I/O refactoring

  hexane360

  committedApr 5, 2024
  16f48c2

• Some I/O refactoring

  hexane360

  committedApr 5, 2024
  3735a0a

• Initial support for parsing LMP files

  hexane360

  committedApr 5, 2024
  5dea968

• More validation in AtomSelection

  hexane360

  committedApr 5, 2024
  a2360e2

Commits on Apr 2, 2024

• Support lmp triclinic output, add tests

  hexane360

  committedApr 2, 2024
  e3c4142

• Typing fixes

  hexane360

  committedApr 2, 2024
  e1874dd

• Fix notebook tests

  hexane360

  committedApr 2, 2024
  decb7c0

• Add make.stacking_sequence, add write_lmp to HasAtoms

  hexane360

  committedApr 2, 2024
  ee6cff5

Commits on Feb 17, 2024

• Bump polars version, remove __dataframe_consortium_standard__

  hexane360

  committedFeb 17, 2024
  fb56f50

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

  hexane360

  committedFeb 17, 2024
  517b4d4

• Begun to support arbitrary eXYZ parameters

  hexane360

  committedFeb 17, 2024
  2b688d7

• Delay scipy import

  hexane360

  committedFeb 17, 2024
  4f98ab9

• Add Atoms.select_props. More AtomCell specializations

  hexane360

  committedFeb 17, 2024
  c03e4c4

Commits on Jan 26, 2024

• Typing fix

  hexane360

  committedJan 26, 2024
  0083cce

• AtomCell typing fixes

  hexane360

  committedJan 26, 2024
  5ed914c

• Atoms improvements for updated Polars

  hexane360

  committedJan 26, 2024
  649c2ea

Commits on Jan 24, 2024

• Support both U_iso and B_iso in CIF files

  hexane360

  committedJan 24, 2024
  6d1b52f

• Support CIF output

  hexane360

  committedJan 24, 2024
  e2a368a

• Begun support for CIF output.

  hexane360

  committedJan 24, 2024
  cd89634

• Minor typing fixes, fix MP api import

  hexane360

  committedJan 24, 2024
  df66fe1

• Update to Polars 0.20

  hexane360

  committedJan 24, 2024
  f160ef1

Commits on Jan 23, 2024

• Support exyz 'pbc' parameter

  hexane360

  committedJan 23, 2024
  9b1885e

• Update IUPAC element symbols

  hexane360

  committedJan 23, 2024
  2a90a24

• Better errors for elem & xyz, more tests

  hexane360

  committedJan 23, 2024
  7293278

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