mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-12-21 19:13:29 +01:00
22 lines
422 B
Fortran
22 lines
422 B
Fortran
program write_integrals_erf
|
|
implicit none
|
|
BEGIN_DOC
|
|
! Saves the two-electron integrals with the $erf(\mu r_{12})/r_{12}$
|
|
! oprerator into the EZFIO directory.
|
|
END_DOC
|
|
io_mo_two_e_integrals = 'None'
|
|
touch io_mo_two_e_integrals
|
|
io_ao_two_e_integrals = 'None'
|
|
touch io_ao_two_e_integrals
|
|
call routine
|
|
|
|
end
|
|
|
|
subroutine routine
|
|
implicit none
|
|
call save_erf_two_e_integrals_ao
|
|
call save_erf_two_e_integrals_mo
|
|
|
|
end
|
|
|