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
|
