xc_vdw.F90 File Reference

Go to the source code of this file.

Modules
module	xc_vdw_oct_m
	A module that takes care of xc contribution from vdW interactions.

Data Types
type	xc_vdw_oct_m::xc_vdw_t

Functions/Subroutines
subroutine	xc_vdw_oct_m::xc_vdw_init (this, namespace, space, gr, xc, ions, x_id, c_id)
	Initialize a xc_vdw_t instance. More...
integer function	xc_vdw_oct_m::xc_vdw_octopus_input_to_version (this)
	Map Octopus''s VDWCORRECTION input option to the DFTD3 library''s input option "version". More...
subroutine	xc_vdw_oct_m::xc_vdw_end (this)
subroutine	xc_vdw_oct_m::xc_vdw_calc (this, namespace, space, latt, atom, natoms, pos, gr, st, energy, vxc)

Variables
integer(int64), dimension(5), parameter, public	xc_vdw_oct_m::d3_lib_options = [ (2_int64), (3_int64), (4_int64), (5_int64), (6_int64) ]
	VDWCORRECTION options that correspond to the DFT-D3 library. More...