GBTOlib: library for evaluation of molecular integrals in mixed Gaussian / B-spline basis 111
Loading...
Searching...
No Matches
bspline_base_gbl Module Reference

Data Types

interface  bvalu
interface  intrv

Functions/Subroutines

subroutine, public map_knots_to_grid (knots, order, last_bspline, r, rmat_radius, bspline_start_end_r)
 Find the indices mapping the start and end of each B-spline to the (quadrature) points r. For a B-spline with index ind which doesn't overlap with the quadrature grid the values in bspline_start_end_r are: bspline_start_end_r(1,ind) = 0, bspline_start_end_r(3,ind) = -1. The value in bspline_start_end_r(2,ind) is the end-point of the B-spline adjusted so that it is never larger than the point corresponding to the R-matrix radius.

Function/Subroutine Documentation

◆ map_knots_to_grid()

subroutine, public bspline_base_gbl::map_knots_to_grid ( real(kind=cfp), dimension(:), intent(in) knots,
integer, intent(in) order,
integer, intent(in) last_bspline,
real(kind=cfp), dimension(:), intent(in) r,
real(kind=cfp), intent(in) rmat_radius,
integer, dimension(:,:), allocatable bspline_start_end_r )

Find the indices mapping the start and end of each B-spline to the (quadrature) points r. For a B-spline with index ind which doesn't overlap with the quadrature grid the values in bspline_start_end_r are: bspline_start_end_r(1,ind) = 0, bspline_start_end_r(3,ind) = -1. The value in bspline_start_end_r(2,ind) is the end-point of the B-spline adjusted so that it is never larger than the point corresponding to the R-matrix radius.

Here is the call graph for this function: