construct_wf_data Subroutine

public subroutine construct_wf_data(p, a, g, b, f)

create WF_data from P, A, G, and B

Arguments

Type IntentOptional Attributes Name
type(param), intent(in) :: p
type(atom_set), intent(in) :: a(:)
type(grid3d), intent(in) :: g
type(basis), intent(in) :: b
type(wf_data), intent(out) :: f