Functions/Subroutines
logical function	gauxc_cache_type_needs_gradient_grid (this)
	...

subroutine, public	gauxc_cache_init (cache, params, para_env, particle_set, qs_kind_set, status)
	...

subroutine, public	gauxc_cache_release (cache)
	Release all GauXC objects in a cache and deallocate arrays.

logical function, public	gauxc_cache_is_valid (cache, params, para_env, particle_set)
	Check if the GauXC cache is valid for the given parameters.

Function/Subroutine Documentation

◆ gauxc_cache_type_needs_gradient_grid()

logical function xc_gauxc_cache::gauxc_cache_type_needs_gradient_grid ( class(cp_gauxc_cache_type) this )

...

Parameters

this ...

Definition at line 81 of file xc_gauxc_cache.F.

subroutine, public xc_gauxc_cache::gauxc_cache_init	(	type(cp_gauxc_cache_type), intent(inout)	cache,
		type(cp_gauxc_cache_params), intent(inout)	params,
		type(mp_para_env_type), intent(in), pointer	para_env,
		type(particle_type), dimension(:), intent(in), pointer	particle_set,
		type(qs_kind_type), dimension(:), intent(in), pointer	qs_kind_set,
		type(cp_gauxc_status_type), intent(inout)	status
	)

...

Parameters

Definition at line 109 of file xc_gauxc_cache.F.

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subroutine, public xc_gauxc_cache::gauxc_cache_release ( type(cp_gauxc_cache_type), intent(inout) cache )

Release all GauXC objects in a cache and deallocate arrays.

Parameters

cache ...

Definition at line 363 of file xc_gauxc_cache.F.

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logical function, public xc_gauxc_cache::gauxc_cache_is_valid	(	type(cp_gauxc_cache_type), intent(in)	cache,
		type(cp_gauxc_cache_params), intent(in)	params,
		type(mp_para_env_type), intent(in), pointer	para_env,
		type(particle_type), dimension(:), pointer	particle_set
	)

Check if the GauXC cache is valid for the given parameters.

Parameters

Return values

cache_valid ...

Definition at line 403 of file xc_gauxc_cache.F.

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