mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-12-22 11:33:29 +01:00
25 lines
810 B
Fortran
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
|