xc_functional_oct_m::xc_functional_t Type Reference

Detailed Description

Definition at line 1465 of file xc_functional.F90.

Private Attributes
integer	family = XC_FAMILY_UNKNOWN
	LDA, GGA, etc. More...
integer	type = 0
	exchange, correlation, or exchange-correlation More...
integer	id = 0
	identifier More...
integer	spin_channels = 0
	XC_UNPOLARIZED | XC_POLARIZED. More...
integer	flags = 0
	XC_FLAGS_HAVE_EXC + XC_FLAGS_HAVE_VXC + ... More...
logical, private	from_libxc = .false.
type(xc_f03_func_t)	conf
	the pointer used to call the library More...
type(xc_f03_func_info_t), private	info
	information about the functional More...
type(libvdwxc_t)	libvdwxc
	libvdwxc data for van der Waals functionals More...

Member Data Documentation

family

integer xc_functional_oct_m::xc_functional_t::family = XC_FAMILY_UNKNOWN

private

LDA, GGA, etc.

Definition at line 1467 of file xc_functional.F90.

type

integer xc_functional_oct_m::xc_functional_t::type = 0

private

exchange, correlation, or exchange-correlation

Definition at line 1468 of file xc_functional.F90.

id

integer xc_functional_oct_m::xc_functional_t::id = 0

private

identifier

Definition at line 1469 of file xc_functional.F90.

spin_channels

integer xc_functional_oct_m::xc_functional_t::spin_channels = 0

private

XC_UNPOLARIZED | XC_POLARIZED.

Definition at line 1471 of file xc_functional.F90.

flags

integer xc_functional_oct_m::xc_functional_t::flags = 0

private

XC_FLAGS_HAVE_EXC + XC_FLAGS_HAVE_VXC + ...

Definition at line 1472 of file xc_functional.F90.

from_libxc

logical, private xc_functional_oct_m::xc_functional_t::from_libxc = .false.

private

Definition at line 1474 of file xc_functional.F90.

conf

type(xc_f03_func_t) xc_functional_oct_m::xc_functional_t::conf

private

the pointer used to call the library

Definition at line 1476 of file xc_functional.F90.

info

type(xc_f03_func_info_t), private xc_functional_oct_m::xc_functional_t::info

private

information about the functional

Definition at line 1477 of file xc_functional.F90.

libvdwxc

type(libvdwxc_t) xc_functional_oct_m::xc_functional_t::libvdwxc

private

libvdwxc data for van der Waals functionals

Definition at line 1478 of file xc_functional.F90.

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The documentation for this type was generated from the following file:

• xc/xc_functional.F90