(git:58e3e09)
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#include "./base/base_uses.f90"
Go to the source code of this file.
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! More... | |