mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-10-09 17:33:05 +02:00
14 lines
418 B
Fortran
14 lines
418 B
Fortran
subroutine hcore_guess
|
|
BEGIN_DOC
|
|
! Produce `H_core` MO orbital
|
|
END_DOC
|
|
implicit none
|
|
character*(64) :: label
|
|
label = "Guess"
|
|
call mo_as_eigvectors_of_mo_matrix(mo_one_e_integrals, &
|
|
size(mo_one_e_integrals,1), &
|
|
size(mo_one_e_integrals,2),label,1,.false.)
|
|
call save_mos
|
|
SOFT_TOUCH mo_coef mo_label
|
|
end
|