9
1
mirror of https://github.com/QuantumPackage/qp2.git synced 2024-11-08 06:23:37 +01:00
qp2/plugins/tuto_plugins/tuto_I/print_traces_on_e.irp.f

25 lines
810 B
Fortran

program my_program
implicit none
BEGIN_DOC
! This program is there essentially to show how one can use providers in programs
END_DOC
integer :: i,j
double precision :: accu
print*,'Trace on the AO basis '
print*,trace_ao_one_e_ints
print*,'Trace on the AO basis after projection on the MO basis'
print*,trace_ao_one_e_ints_from_mo
print*,'Trace of MO integrals '
print*,trace_mo_one_e_ints
print*,'ao_num = ',ao_num
print*,'mo_num = ',mo_num
if(ao_num .ne. mo_num)then
print*,'The AO basis and MO basis are different ...'
print*,'Trace on the AO basis should not be the same as Trace of MO integrals'
print*,'Only the second one must be equal to the trace on the MO integrals'
else
print*,'The AO basis and MO basis are the same !'
print*,'All traces should coincide '
endif
end