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ewald_spline_util Module Reference

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)
 Setup of the G-space Ewald Term Spline Coefficients.
 

Detailed Description

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

History
12.2005 created [tlaino]
Author
Teodoro Laino

Function/Subroutine Documentation

◆ setup_ewald_spline()

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 
)

Setup of the G-space Ewald Term Spline Coefficients.

Parameters
pw_grid...
pw_pool...
coeff...
LG...
gx...
gy...
gz...
hmat...
npts...
param_section...
tag...
print_section...
History
12.2005 created [tlaino]
Author
Teodoro Laino

Definition at line 69 of file ewald_spline_util.F.

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