ferrodispcalc package

Subpackages

• ferrodispcalc.compute package
  • Submodules
  • ferrodispcalc.compute.backend module
    • ComputeBackend
      • ComputeBackend.get_averaged_structure()
      • ComputeBackend.get_displacement()
      • ComputeBackend.get_polarization()
  • ferrodispcalc.compute.pybackend module
    • PyCompute
      • PyCompute.get_averaged_structure()
      • PyCompute.get_displacement()
      • PyCompute.get_polarization()
  • Module contents
• ferrodispcalc.io package
  • Submodules
  • ferrodispcalc.io.core module
    • Traj
  • ferrodispcalc.io.lammps module
    • LAMMPSdata
    • LAMMPSdump
      • LAMMPSdump.get_first_frame()
      • LAMMPSdump.get_natoms()
      • LAMMPSdump.get_next_frame()
      • LAMMPSdump.get_nframes()
  • Module contents
• ferrodispcalc.plotter package
  • Module contents

Submodules

ferrodispcalc.type_map module

type_map.py:

This file contains the common type map.

Author: Denan Li Last modified: 2024-07-15 Email: lidenan@westlake.edu.cn

Module contents