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qp2/src/mo_optimization/org/update_parameters.org
ydamour b71888f459 add mo optimization
2023-04-18 13:56:30 +02:00

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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