Setting up the Spline coefficients used to Interpolate the G-Term in Ewald sums. More...

Functions/Subroutines
subroutine, public	setup_ewald_spline (pw_grid, pw_pool, coeff, LG, gx, gy, gz, hmat, npts, param_section, tag, print_section, para_env)
	Setup of the G-space Ewald Term Spline Coefficients. More...

Detailed Description

Setting up the Spline coefficients used to Interpolate the G-Term in Ewald sums.

Function/Subroutine Documentation

subroutine, public ewald_spline_util::setup_ewald_spline	(	type(pw_grid_type), pointer	pw_grid,
		type(pw_pool_type), pointer	pw_pool,
		type(pw_r3d_rs_type), pointer	coeff,
		real(kind=dp), dimension(:), pointer	LG,
		real(kind=dp), dimension(:), pointer	gx,
		real(kind=dp), dimension(:), pointer	gy,
		real(kind=dp), dimension(:), pointer	gz,
		real(kind=dp), dimension(3, 3), intent(in)	hmat,
		integer, dimension(3), intent(in)	npts,
		type(section_vals_type), pointer	param_section,
		character(len=*), intent(in)	tag,
		type(section_vals_type), pointer	print_section,
		type(mp_para_env_type), pointer	para_env
	)

Setup of the G-space Ewald Term Spline Coefficients.

Parameters

Definition at line 71 of file ewald_spline_util.F.

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