9
1
mirror of https://github.com/QuantumPackage/qp2.git synced 2024-06-23 04:52:05 +02:00
qp2/src/tools/four_idx_transform.irp.f

21 lines
503 B
Fortran
Raw Normal View History

2019-01-25 11:39:31 +01:00
program four_idx_transform
implicit none
BEGIN_DOC
2019-01-29 23:10:00 +01:00
! 4-index transformation of two-electron integrals from |AO| to |MO|
! integrals.
2019-01-25 11:39:31 +01:00
!
2019-01-29 23:10:00 +01:00
! This program will compute the two-electron integrals on the |MO| basis
! and store it into the |EZFIO| directory.
!
! This program can be useful if the AO --> MO transformation is an
! expensive step by itself.
2019-01-25 11:39:31 +01:00
!
END_DOC
io_mo_two_e_integrals = 'Write'
SOFT_TOUCH io_mo_two_e_integrals
if (.true.) then
PROVIDE mo_two_e_integrals_in_map
endif
end