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LModeA-k 0.0.1 documentation - Home LModeA-k 0.0.1 documentation - Home

Contents:

  • Introduction
  • Installation
  • Usage
  • Command-line options
  • Internal coordinates
  • Interfaces
  • Output file structure
  • API
    • lmodea_k.InternalCoordinateSystem
    • lmodea_k.InternalCoordinate
    • lmodea_k.Cluster
    • lmodea_k.Crystal
    • lmodea_k.NormalModes
    • lmodea_k.internalcoords.InternalCoordinate
    • lmodea_k.internalcoords.LMAdata
    • lmodea_k.internalcoords.RedundancyReport
    • lmodea_k.internalcoords
    • lmodea_k.cluster
    • lmodea_k.crystal
    • lmodea_k.normalmodes
    • lmodea_k.parsers
    • lmodea_k.usercoords
    • lmodea_k.utils
    • lmodea_k.parsers.castep.parse_castep
    • lmodea_k.parsers.castep_phonon.parse_castep_phonon
    • lmodea_k.parsers.phonopy.parse_phonopy
  • How to cite LModeA-k

Index

_ | C | I | L | M | N | P | R

_

  • __init__() (Cluster method)
    • (Crystal method)
    • (InternalCoordinate method), [1]
    • (InternalCoordinateSystem method)
    • (LMAdata method)
    • (NormalModes method)
    • (RedundancyReport method)

C

  • Cluster (class in lmodea_k)
  • Crystal (class in lmodea_k)

I

  • InternalCoordinate (class in lmodea_k)
    • (class in lmodea_k.internalcoords)
  • InternalCoordinateSystem (class in lmodea_k)

L

  • LMAdata (class in lmodea_k.internalcoords)
  • lmodea_k.cluster
    • module
  • lmodea_k.crystal
    • module
  • lmodea_k.internalcoords
    • module
  • lmodea_k.normalmodes
    • module
  • lmodea_k.parsers
    • module
  • lmodea_k.usercoords
    • module
  • lmodea_k.utils
    • module

M

  • module
    • lmodea_k.cluster
    • lmodea_k.crystal
    • lmodea_k.internalcoords
    • lmodea_k.normalmodes
    • lmodea_k.parsers
    • lmodea_k.usercoords
    • lmodea_k.utils

N

  • NormalModes (class in lmodea_k)

P

  • parse_castep() (in module lmodea_k.parsers.castep)
  • parse_castep_phonon() (in module lmodea_k.parsers.castep_phonon)
  • parse_phonopy() (in module lmodea_k.parsers.phonopy)

R

  • RedundancyReport (class in lmodea_k.internalcoords)

By Mateusz Mojsak, Filippo Bodo

© Copyright 2026, Mateusz Mojsak, Filippo Bodo.