Functions/Subroutines
logical function, public	subsys_spin (qs_env)
	...

subroutine, public	prepare_dmfet_opt (qs_env, opt_dmfet, opt_dmfet_section)
	...

subroutine, public	release_dmfet_opt (opt_dmfet)
	...

subroutine, public	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	check_dmfet (opt_dmfet, qs_env)
	...

Function/Subroutine Documentation

◆ subsys_spin()

logical function, public optimize_dmfet_potential::subsys_spin ( type(qs_environment_type), pointer qs_env )

...

Parameters

qs_env ...

Definition at line 92 of file optimize_dmfet_potential.F.

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subroutine, public optimize_dmfet_potential::prepare_dmfet_opt	(	type(qs_environment_type), pointer	qs_env,
		type(opt_dmfet_pot_type)	opt_dmfet,
		type(section_vals_type), pointer	opt_dmfet_section
	)

...

Parameters

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subroutine, public optimize_dmfet_potential::release_dmfet_opt ( type(opt_dmfet_pot_type) opt_dmfet )

...

Parameters

opt_dmfet ...

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subroutine, public optimize_dmfet_potential::build_full_dm	(	type(qs_environment_type), pointer	qs_env,
		type(cp_fm_type), intent(in)	dm,
		logical	open_shell,
		logical	open_shell_embed,
		type(cp_fm_type), intent(in)	dm_beta
	)

Builds density matrices from MO coefficients in full matrix format.

Parameters

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subroutine, public optimize_dmfet_potential::check_dmfet	(	type(opt_dmfet_pot_type)	opt_dmfet,
		type(qs_environment_type), pointer	qs_env
	)

...

Parameters

opt_dmfet	...
qs_env	...

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