logrid_oct_m Module Reference

Data Types
type	logrid_t

Functions/Subroutines
subroutine, public	logrid_init (grid, flavor, aa, bb, nrval)
subroutine, public	logrid_end (grid)
subroutine, public	logrid_copy (grid_in, grid_out)
integer function, public	logrid_index (grid, rofi)
subroutine, public	derivative_in_log_grid (grid, ff, dfdr)
real(real64) pure function, public	logrid_radius (grid)
subroutine, public	logrid_find_parameters (namespace, zz, aa, bb, np)

Variables
integer, parameter, public	logrid_psf = 1
	log grid used in Troullier-Martins code More...
integer, parameter, public	logrid_cpi = 2
	log grid used in FHI code More...

Function/Subroutine Documentation

logrid_init()

subroutine, public logrid_oct_m::logrid_init	(	type(logrid_t), intent(out)	grid,
		integer, intent(in)	flavor,
		real(real64), intent(in)	aa,
		real(real64), intent(in)	bb,
		integer, intent(in)	nrval
	)

Definition at line 155 of file logrid.F90.

logrid_end()

subroutine, public logrid_oct_m::logrid_end

(

type(logrid_t), intent(inout)

grid

)

Definition at line 212 of file logrid.F90.

logrid_copy()

subroutine, public logrid_oct_m::logrid_copy	(	type(logrid_t), intent(in)	grid_in,
		type(logrid_t), intent(inout)	grid_out
	)

Definition at line 227 of file logrid.F90.

logrid_index()

integer function, public logrid_oct_m::logrid_index	(	type(logrid_t), intent(in)	grid,
		real(real64), intent(in)	rofi
	)

Definition at line 255 of file logrid.F90.

derivative_in_log_grid()

subroutine, public logrid_oct_m::derivative_in_log_grid	(	type(logrid_t), intent(in)	grid,
		real(real64), dimension(:), intent(in)	ff,
		real(real64), dimension(:), intent(out)	dfdr
	)

Definition at line 282 of file logrid.F90.

logrid_radius()

real(real64) pure function, public logrid_oct_m::logrid_radius

(

type(logrid_t), intent(in)

grid

)

Definition at line 301 of file logrid.F90.

logrid_find_parameters()

subroutine, public logrid_oct_m::logrid_find_parameters	(	type(namespace_t), intent(in)	namespace,
		integer, intent(in)	zz,
		real(real64), intent(out)	aa,
		real(real64), intent(out)	bb,
		integer, intent(out)	np
	)

Definition at line 308 of file logrid.F90.

Variable Documentation

logrid_psf

integer, parameter, public logrid_oct_m::logrid_psf = 1

log grid used in Troullier-Martins code

Definition at line 135 of file logrid.F90.

logrid_cpi

integer, parameter, public logrid_oct_m::logrid_cpi = 2

log grid used in FHI code

Definition at line 135 of file logrid.F90.