mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-08-31 05:03:40 +02:00
17 lines
492 B
Fortran
17 lines
492 B
Fortran
|
program four_idx_transform
|
||
|
implicit none
|
||
|
BEGIN_DOC
|
||
|
! 4-index transformation of two-electron integrals from |AO| to |MO| integrals.
|
||
|
!
|
||
|
! This program will compute the two-electron integrals on the |MO| basis and store it into the |EZFIO| folder.
|
||
|
!
|
||
|
! This program can be useful if the AO --> MO transformation is an expensive step by itself.
|
||
|
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
|