Welcome to MolSym’s documentation!

Note

This project is under active development.

Contents

• Home
• Usage
  • Point Group detection
  • Symmetrization
  • Symtext generation
  • SALCs
    • Internal coordinates
    • Cartesian displacements and Eckart conditions
    • Spherical harmonic and polynomial basis functions
• API
  • molsym
    • molsym.molecule
    • molsym.pgdetect
      • molsym.pgdetect.flowchart
      • molsym.pgdetect.flowchart_helper
    • molsym.salcs
      • molsym.salcs.axial_vector_functions
      • molsym.salcs.cartesian_coordinates
      • molsym.salcs.function_set
      • molsym.salcs.internal_coordinates
      • molsym.salcs.linear_functions
      • molsym.salcs.nonstandard_frame
      • molsym.salcs.polynomial_functions
      • molsym.salcs.projection_op
      • molsym.salcs.salc
      • molsym.salcs.salc_tools
      • molsym.salcs.spherical_harmonics
    • molsym.symmetrize
      • symmetrize()
    • molsym.symtext
      • molsym.symtext.Ih_irrep_mats
      • molsym.symtext.character_table
      • molsym.symtext.general_irrep_mats
      • molsym.symtext.goat
      • molsym.symtext.irrep_mats
      • molsym.symtext.linear_helper
      • molsym.symtext.multiplication_table
      • molsym.symtext.point_group
      • molsym.symtext.symel
      • molsym.symtext.symtext
      • molsym.symtext.symtext_helper
    • molsym.symtools

Indices and tables

• Index

• Module Index

• Search Page