mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-11-07 22:53:52 +01:00
16 lines
265 B
Fortran
16 lines
265 B
Fortran
|
! Subroutine toupdate the parameters.
|
||
|
|
! Ex: TOUCH mo_coef ...
|
||
|
|
|
||
|
|
|
||
|
|
subroutine update_parameters()
|
||
|
|
|
||
|
|
implicit none
|
||
|
|
|
||
|
|
!### TODO
|
||
|
|
! Touch yours parameters
|
||
|
|
call clear_mo_map
|
||
|
|
TOUCH mo_coef psi_det psi_coef
|
||
|
|
call diagonalize_ci
|
||
|
|
call save_wavefunction_unsorted
|
||
|
|
end
|