optimize_dmfet_potential.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Modules
module	optimize_dmfet_potential

Functions/Subroutines
logical function, public	optimize_dmfet_potential::subsys_spin (qs_env)
	...
subroutine, public	optimize_dmfet_potential::prepare_dmfet_opt (qs_env, opt_dmfet, opt_dmfet_section)
	...
subroutine, public	optimize_dmfet_potential::release_dmfet_opt (opt_dmfet)
	...
subroutine, public	optimize_dmfet_potential::build_full_dm (qs_env, dm, open_shell, open_shell_embed, dm_beta)
	Builds density matrices from MO coefficients in full matrix format.
subroutine, public	optimize_dmfet_potential::check_dmfet (opt_dmfet, qs_env)
	...