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Added final_grid_points_transp

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Anthony Scemama 2022-11-20 14:47:42 +01:00
parent b2f79e2581
commit 23979d9112
1 changed files with 15 additions and 0 deletions
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15
src/becke_numerical_grid/grid_becke_vector.irp.f
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@ -58,3 +58,18 @@ END_PROVIDER
enddo
END_PROVIDER
BEGIN_PROVIDER [double precision, final_grid_points_transp, (n_points_final_grid,3)]
implicit none
BEGIN_DOC
! final_grid_points_transp(j,1:3) = (/ x, y, z /) of the jth grid point
END_DOC
integer :: i
do i=1,n_points_final_grid
final_grid_points_transp(i,1) = final_grid_points(1,i)
final_grid_points_transp(i,2) = final_grid_points(2,i)
final_grid_points_transp(i,3) = final_grid_points(3,i)
enddo
END_PROVIDER