quantum_package/src/Determinants/test_3d.irp.f

program test_3d
 implicit none
 integer :: i,npt
 double precision :: dx,domain,x_min,x,step_function_becke
!domain = 5.d0
!npt = 100
!dx = domain/dble(npt)
!x_min = -0.5d0 * domain
!x = x_min
!do i = 1, npt
! write(33,*)x,step_function_becke(x)
! x += dx
!enddo

end
Modifs of fobo-scf 2016-07-16 16:09:50 +02:00			`program test_3d`
			`implicit none`
			`integer :: i,npt`
			`double precision :: dx,domain,x_min,x,step_function_becke`
New perturbation theory is working 2016-08-26 18:00:49 +02:00			`!domain = 5.d0`
			`!npt = 100`
			`!dx = domain/dble(npt)`
			`!x_min = -0.5d0 * domain`
			`!x = x_min`
			`!do i = 1, npt`
			`! write(33,*)x,step_function_becke(x)`
			`! x += dx`
			`!enddo`
Modifs of fobo-scf 2016-07-16 16:09:50 +02:00
			`end`