Octopus
xc_cam_oct_m Module Reference

Data Types

type  xc_cam_t
 Coulomb-attenuating method parameters, used in the partitioning of the Coulomb potential into a short-range term and a long-range term. More...
 

Functions/Subroutines

pure logical function xc_cam_is_null (this)
 Are all attributes of a xc_cam_t instance set to their default (null) values. More...
 
subroutine xc_cam_print (this, namespace, msg)
 Print attribute values. More...
 
pure real(real64) function, dimension(3) xc_cam_as_array (this)
 @ brief Return attributes as an array of reals. LibXC interface expects an array of reals, rather than a type. More...
 

Variables

type(xc_cam_t), parameter, public cam_null = xc_cam_t(0.0_real64, 0.0_real64, 0.0_real64)
 All CAM parameters set to zero. More...
 
type(xc_cam_t), parameter, public cam_exact_exchange = xc_cam_t(0.0_real64, 1.0_real64, 0.0_real64)
 Use only Hartree Fock exact exchange. More...
 

Function/Subroutine Documentation

◆ xc_cam_is_null()

pure logical function xc_cam_oct_m::xc_cam_is_null ( class(xc_cam_t), intent(in)  this)
private

Are all attributes of a xc_cam_t instance set to their default (null) values.

Definition at line 158 of file xc_cam.F90.

◆ xc_cam_print()

subroutine xc_cam_oct_m::xc_cam_print ( class(xc_cam_t), intent(in)  this,
type(namespace_t), intent(in)  namespace,
character(len=*), intent(in), optional  msg 
)
private

Print attribute values.

Definition at line 168 of file xc_cam.F90.

◆ xc_cam_as_array()

pure real(real64) function, dimension(3) xc_cam_oct_m::xc_cam_as_array ( class(xc_cam_t), intent(in)  this)
private

@ brief Return attributes as an array of reals. LibXC interface expects an array of reals, rather than a type.

Parameters are defined in the order expected by libXC: alpha, beta, omega.

In LibXC, see for example, xc_f03_func_set_ext_params, defined by libxc_master.F90 following preprocessing.

Definition at line 202 of file xc_cam.F90.

Variable Documentation

◆ cam_null

type(xc_cam_t), parameter, public xc_cam_oct_m::cam_null = xc_cam_t(0.0_real64, 0.0_real64, 0.0_real64)

All CAM parameters set to zero.

Definition at line 150 of file xc_cam.F90.

◆ cam_exact_exchange

type(xc_cam_t), parameter, public xc_cam_oct_m::cam_exact_exchange = xc_cam_t(0.0_real64, 1.0_real64, 0.0_real64)

Use only Hartree Fock exact exchange.

Definition at line 153 of file xc_cam.F90.