qp2/src/tc_bi_ortho/tc_bi_ortho_prop.irp.f

38 lines
538 B
Fortran

! ---
program tc_bi_ortho_prop
BEGIN_DOC
! TODO : Put the documentation of the program here
END_DOC
implicit none
print *, 'Hello world'
my_grid_becke = .True.
PROVIDE tc_grid1_a tc_grid1_r
my_n_pt_r_grid = tc_grid1_r
my_n_pt_a_grid = tc_grid1_a
touch my_grid_becke my_n_pt_r_grid my_n_pt_a_grid
read_wf = .True.
touch read_wf
!call routine_diag
call test
end
! ---
subroutine test
implicit none
integer :: i
print*,'TC Dipole components'
do i= 1, 3
print*,tc_bi_ortho_dipole(i,1)
enddo
end