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quantum_package/src/Determinants/test_3d.irp.f

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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
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