QuantumPackage/src/tools/write_integrals_erf.irp.f

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
Initial commit 2019-01-25 11:39:31 +01:00			`program write_integrals_erf`
			`implicit none`
			`BEGIN_DOC`
Warnings in documentation 2019-01-29 15:40:00 +01:00			`! Saves the two-electron integrals with the $erf(\mu r_{12})/r_{12}$`
			`! oprerator into the EZFIO directory.`
Initial commit 2019-01-25 11:39:31 +01:00			`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`