xc_derivative_types.F File Reference

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

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Data Types
type	xc_derivative_types::xc_derivative_type
	represent a derivative of a functional More...
type	xc_derivative_types::xc_derivative_p_type
	represent a pointer to a derivative (to have arrays of derivatives) More...

Modules
module	xc_derivative_types
	Provides types for the management of the xc-functionals and their derivatives.

Functions/Subroutines
subroutine, public	xc_derivative_types::xc_derivative_create (derivative, desc, r3d_ptr)
	allocates and initializes a derivative type
subroutine, public	xc_derivative_types::xc_derivative_release (derivative, pw_pool)
	allocates and initializes a derivative type
subroutine, public	xc_derivative_types::xc_derivative_get (deriv, split_desc, order, deriv_data, accept_null_data)
	returns various information on the given derivative