molden_utils.F File Reference

#include "./base/base_uses.f90"

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Modules
module	molden_utils
	Functions handling the MOLDEN format. Split from mode_selective.

Functions/Subroutines
subroutine, public	molden_utils::write_mos_molden (mos, qs_kind_set, particle_set, print_section)
	Write out the MOs in molden format for visualisation.
subroutine, public	molden_utils::write_vibrations_molden (input, particles, freq, eigen_vec, intensities, calc_intens, dump_only_positive, logger, list)
	writes the output for vibrational analysis in MOLDEN format