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point group of a cluster#43

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seshasaibehara wants to merge 12 commits intoprisms-center:2.Xprisms-center/CASMcode_crystallography:2.Xfrom seshasaibehara:ClusterPointGroupseshasaibehara/CASMcode_crystallography:ClusterPointGroupCopy head branch name to clipboard

+1,367-2

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Commits on Jul 29, 2024

• point group of a cluster

  seshasaibehara

  committed
  8c8df25

• cluster point group: return list of xtal.Symops

  seshasaibehara

  committed
  1e5d7a5

Commits on Jul 30, 2024

• default properties arg for xtal.AtomComponent

  seshasaibehara

  committed
  f462ad8

• doc update

  seshasaibehara

  committed
  3c3420e

• doc update

  seshasaibehara

  committed
  1489c17

• xtal.Occupant.from_xyz_string() with tests; also fix test_prim.py shared_datadir fixture

  seshasaibehara

  committed
  beb125b

• add test_occupants.py

  seshasaibehara

  committed
  0fd56db

• add molecule input files

  seshasaibehara

  committed
  260cc00

• add tests for cluster_point_group

  seshasaibehara

  committed
  de58327

• added pybind doc for xtal.Occupant.from_xyz_string()

  seshasaibehara

  committed
  87bba8a

Commits on Aug 9, 2024

• revert unnecessary changes

  seshasaibehara

  committed
  9c513f2

• resolved conflicts?

  seshasaibehara

  committed
  92efff7