10
0
mirror of https://github.com/LCPQ/quantum_package synced 2024-12-27 06:43:48 +01:00
quantum_package/plugins/eginer/Determinant_tools/print_holes_particles.irp.f

37 lines
711 B
Fortran
Raw Normal View History

2016-07-16 16:09:50 +02:00
program pouet
implicit none
read_wf = .True.
touch read_wf
call routine
end
subroutine routine
implicit none
integer :: i,j,number_of_holes,number_of_particles
integer :: n_h,n_p
do i = 1, N_det
n_h = number_of_holes(psi_det(1,1,i))
n_p = number_of_particles(psi_det(1,1,i))
if(n_h == 0 .and. n_p == 0)then
print*,'CAS'
else if(n_h == 1 .and. n_p ==0)then
print*,'1h'
else if(n_h == 0 .and. n_p ==1)then
print*,'1p'
else if(n_h == 1 .and. n_p ==1)then
print*,'1h1p'
else if(n_h == 2 .and. n_p ==1)then
print*,'2h1p'
else if(n_h == 1 .and. n_p ==2)then
print*,'1h2p'
else
print*,'PB !! '
call debug_det(psi_det(1,1,i), N_int)
stop
endif
enddo
end