molecular_states.F File Reference

#include "./base/base_uses.f90"

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Modules
module	molecular_states
	Routines for the calculation of molecular states.

Functions/Subroutines
subroutine, public	molecular_states::construct_molecular_states (molecule_set, mo_localized, mo_coeff, mo_eigenvalues, hks, matrix_s, qs_env, wf_r, wf_g, loc_print_section, particles, tag, marked_states, ispin)
	constructs molecular states. mo_localized gets overwritten!