Documentation for module qs_loc_molecules

Set of routines handling the localization for molecular properties

source: qs_loc_molecules.F
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public Subroutines/Functions:

maps wfc's to molecules and also prints molecular dipoles

SUBROUTINEwfc_to_molecule(qs_env, qs_loc_env, loc_print_key, center, molecule_set, nspins)

maps wfc's to molecules and also prints molecular dipoles

Arguments:
POINTER
:: qs_env the qs_env in which the qs_env lives
INTENT(in)
:: qs_loc_env ...
POINTER
:: loc_print_key ...
REAL(dp),
INTENT(in)
:: center(:,:) ...
POINTER
:: molecule_set(:) ...
INTEGER,
INTENT(in)
:: nspins ...