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topology_symmetry.F File Reference

Go to the source code of this file.

Modules

module  topology_symmetry
 Native character decomposition and metric-aware inversion representations.

Functions/Subroutines

subroutine, public topology_symmetry::character_multiplicities (character, table, multiplicities, tolerance, status)
 Decompose a character against a complete unitary character table.
subroutine, public topology_symmetry::inversion_representation (metric, coeff, mapping, phase, energies, check_tr, tolerance, energy_tolerance, counts, error, energy_error, status, diagnostics)
 Inversion irreps of an isolated scalar or spinor eigenspace in an AO metric.