xc_derivative_set_types.F File Reference

#include "../base/base_uses.f90"

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Data Types
type	xc_derivative_set_types::xc_derivative_set_type
	A derivative set contains the different derivatives of a xc-functional in form of a linked list. More...

Modules
module	xc_derivative_set_types
	represent a group ofunctional derivatives

Functions/Subroutines
type(xc_derivative_type) function, pointer, public	xc_derivative_set_types::xc_dset_get_derivative (derivative_set, description, allocate_deriv)
	returns the requested xc_derivative
subroutine, public	xc_derivative_set_types::xc_dset_create (derivative_set, pw_pool, local_bounds)
	creates a derivative set object
subroutine, public	xc_derivative_set_types::xc_dset_release (derivative_set)
	releases a derivative set
subroutine, public	xc_derivative_set_types::xc_dset_zero_all (deriv_set)
	...
subroutine, public	xc_derivative_set_types::xc_dset_recover_pw (deriv_set, description, pw, pw_grid, pw_pool)
	Recovers a derivative on a pw_r3d_rs_type, the caller is responsible to release the grid later If the derivative is not found, either creates a blank pw_r3d_rs_type from pw_pool or leaves it unassociated.