xc_gauxc_cache Module Reference

Data Types
type	cp_gauxc_cache_params
type	cp_gauxc_cache_type

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

...

Returns

...

Definition at line 87 of file xc_gauxc_cache.F.

gauxc_cache_init()

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

cache	...
params	...
para_env	...
particle_set	...
qs_kind_set	...
status	...

Definition at line 115 of file xc_gauxc_cache.F.

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gauxc_cache_release()

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 399 of file xc_gauxc_cache.F.

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gauxc_cache_is_valid()

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

cache	...
params	...
para_env	...
particle_set	...

Returns

...

Return values

cache_valid

...

Definition at line 439 of file xc_gauxc_cache.F.

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