Functions/Subroutines
subroutine, public	mixed_map_forces (particles_mix, virial_mix, results_mix, global_forces, virials, results, factor, iforce_eval, nforce_eval, map_index, mapping_section, overwrite)
	Maps forces between the different force_eval sections/environments.

subroutine, public	get_subsys_map_index (mapping_section, natom, iforce_eval, nforce_eval, map_index, force_eval_embed)
	performs mapping of the subsystems of different force_eval

Detailed Description

Function/Subroutine Documentation

subroutine, public mixed_environment_utils::mixed_map_forces	(	type(particle_list_type), pointer	particles_mix,
		type(virial_type), pointer	virial_mix,
		type(cp_result_type), pointer	results_mix,
		type(mixed_force_type), dimension(:), pointer	global_forces,
		type(virial_p_type), dimension(:), pointer	virials,
		type(cp_result_p_type), dimension(:), pointer	results,
		real(kind=dp), intent(in)	factor,
		integer, intent(in)	iforce_eval,
		integer, intent(in)	nforce_eval,
		integer, dimension(:), pointer	map_index,
		type(section_vals_type), pointer	mapping_section,
		logical, intent(in)	overwrite
	)

Maps forces between the different force_eval sections/environments.

Parameters

Definition at line 60 of file mixed_environment_utils.F.

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subroutine, public mixed_environment_utils::get_subsys_map_index	(	type(section_vals_type), pointer	mapping_section,
		integer, intent(in)	natom,
		integer, intent(in)	iforce_eval,
		integer, intent(in)	nforce_eval,
		integer, dimension(:), pointer	map_index,
		logical, optional	force_eval_embed
	)

performs mapping of the subsystems of different force_eval

Parameters

Definition at line 139 of file mixed_environment_utils.F.

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