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  • User support
  • API reference
  • Release notes
  • Contributor`s guide
  • Whom to cite?
  • GitHub
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Section Navigation

Submodules

  • wulfric.cell
  • wulfric.crystal
  • wulfric.kpoints
  • wulfric.constants
  • wulfric.io
  • wulfric.geometry
    • wulfric.geometry.get_volume
    • wulfric.geometry.get_angle
    • wulfric.geometry.parallelepiped_check
    • wulfric.geometry.get_spherical

Classes

  • wulfric.Kpoints
  • wulfric.PlotlyEngine
  • wulfric.SyntacticSugar

Top level functions

  • wulfric.compare_with_tolerance
  • wulfric.add_sugar
  • wulfric.remove_sugar
  • wulfric.logo

Top level functions

  • wulfric.get_spglib_types
  • wulfric.get_spglib_data
  • wulfric.validate_spglib_data

Exceptions

  • wulfric.ConventionNotSupported
  • wulfric.FailedToDeduceAtomSpecies
  • wulfric.NiggliReductionFailed
  • wulfric.PotentialBugError

Legacy code

  • wulfric.lepage
  • API reference
  • wulfric.geometry

wulfric.geometry#

Funstions#

get_volume(*args)

Computes volume.

get_angle(v1, v2[, radians])

Computes angle between two vectors.

parallelepiped_check(a, b, c, alpha, beta, gamma)

Checks if parallelepiped is valid.

get_spherical(vector[, in_degrees, ...])

Compute spherical coordinates of a vector.

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wulfric.io.dump_poscar

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wulfric.geometry.get_volume

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