libvdwxc.F90 File Reference

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Modules
module	libvdwxc_oct_m

Data Types
type	libvdwxc_oct_m::libvdwxc_t

Functions/Subroutines
subroutine, public	libvdwxc_oct_m::libvdwxc_init (libvdwxc, namespace, functional)
subroutine, public	libvdwxc_oct_m::libvdwxc_print (this)
subroutine, public	libvdwxc_oct_m::libvdwxc_write_info (this, iunit, namespace)
subroutine, public	libvdwxc_oct_m::libvdwxc_set_geometry (this, namespace, space, mesh)
subroutine, public	libvdwxc_oct_m::libvdwxc_calculate (this, namespace, space, rho, gradrho, dedd, dedgd)
subroutine	tocube (array, cubearray)
subroutine	fromcube (cubearray, array)
subroutine	libvdwxc_write_array (arr, fname)
subroutine, public	libvdwxc_oct_m::libvdwxc_end (this)

Variables
integer, parameter	libvdwxc_oct_m::libvdwxc_mode_auto = 1
integer, parameter	libvdwxc_oct_m::libvdwxc_mode_serial = 2
integer, parameter	libvdwxc_oct_m::libvdwxc_mode_mpi = 3

Function/Subroutine Documentation

tocube()

subroutine libvdwxc_calculate::tocube ( real(real64), dimension(:), intent(in), contiguous  array, real(real64), dimension(:,:,:), intent(out)  cubearray  )

private

Definition at line 440 of file libvdwxc.F90.

fromcube()

subroutine libvdwxc_calculate::fromcube ( real(real64), dimension(:,:,:), intent(in)  cubearray, real(real64), dimension(:), intent(out), contiguous  array  )

private

Definition at line 455 of file libvdwxc.F90.

libvdwxc_write_array()

subroutine libvdwxc_calculate::libvdwxc_write_array ( real(real64), dimension(:), intent(in)  arr, character(len=*), intent(in)  fname  )

private

Definition at line 469 of file libvdwxc.F90.