Code

Various for 2.0a9#33

Code

Merged

bpuchala merged 11 commits intoprisms-center:2.Xprisms-center/CASMcode_crystallography:2.Xfrom bpuchala:2.X_enumerate_superlattices_shapebpuchala/CASMcode_crystallography:2.X_enumerate_superlattices_shapeCopy head branch name to clipboardJan 26, 2024

+400-112

Commits

Commits on Dec 6, 2023

• Add lattice methods: reciprocal, volume, lengths_and_angles, from_lengths_and_angles; fix Prim treatment of site labels

  bpuchala

  committed
  eae7624

• add libcasm.xtal.convert with pymatgen conversions

  bpuchala

  committed
  064685b

• update CHANGELOG

  bpuchala

  committed
  f906937

Commits on Dec 26, 2023

• factor conf.py

  bpuchala

  committed
  f3c81ec

Commits on Jan 22, 2024

• add unit_cell, diagonal_only, and fixed_shape parameters to libcasm.xtal.enumerate_superlattices

  bpuchala

  committed
  b8c6ffd

• doc fix

  bpuchala

  committed
  81b0359

Commits on Jan 26, 2024

• doc fix

  bpuchala

  committed
  9d1b89f

• moving structure conversions to a different package

  bpuchala

  committed
  56af057

• Update CHANGELOG.md

  bpuchala

  committed
  3184d67

• Update CHANGELOG.md

  bpuchala

  committed
  e1ad567

• update github actions

  bpuchala

  committed
  74dac0d