iatogen Subroutine

public subroutine iatogen(pv, av, nocca, noccb)

Uses

  • proc~~iatogen~~UsesGraph proc~iatogen iatogen module~precision precision proc~iatogen->module~precision iso_fortran_env iso_fortran_env module~precision->iso_fortran_env

Arguments

Type IntentOptional Attributes Name
real(kind=dp), intent(in), contiguous, target :: pv(:)
real(kind=dp), intent(out) :: av(:,:)
integer, intent(in) :: nocca
integer, intent(in) :: noccb

Called by

proc~~iatogen~~CalledByGraph proc~iatogen iatogen proc~get_td_transition_dipole get_td_transition_dipole proc~get_td_transition_dipole->proc~iatogen proc~get_transition_density get_transition_density proc~get_transition_density->proc~iatogen proc~oqp_tdhf_z_vector oqp_tdhf_z_vector proc~oqp_tdhf_z_vector->proc~iatogen proc~sfdmat sfdmat proc~sfdmat->proc~iatogen proc~tdhf_energy tdhf_energy proc~tdhf_energy->proc~iatogen proc~tdhf_energy->proc~get_td_transition_dipole proc~tdhf_gradient tdhf_gradient proc~tdhf_gradient->proc~iatogen proc~tdhf_mrsf_energy tdhf_mrsf_energy proc~tdhf_mrsf_energy->proc~iatogen proc~tdhf_mrsf_energy->proc~get_transition_density proc~tdhf_sf_energy tdhf_sf_energy proc~tdhf_sf_energy->proc~iatogen proc~tdhf_sf_energy->proc~get_transition_density proc~tdhf_sf_energy->proc~sfdmat proc~tdhf_energy_c tdhf_energy_C proc~tdhf_energy_c->proc~tdhf_energy proc~tdhf_gradient_c tdhf_gradient_C proc~tdhf_gradient_c->proc~tdhf_gradient proc~tdhf_mrsf_energy_c tdhf_mrsf_energy_C proc~tdhf_mrsf_energy_c->proc~tdhf_mrsf_energy proc~tdhf_sf_energy_c tdhf_sf_energy_C proc~tdhf_sf_energy_c->proc~tdhf_sf_energy proc~tdhf_z_vector_c tdhf_z_vector_C proc~tdhf_z_vector_c->proc~oqp_tdhf_z_vector

Source Code

  subroutine iatogen(pv,av,nocca,noccb)
    use precision, only: dp

    implicit none

    real(kind=dp), intent(in), contiguous, target :: pv(:)
    real(kind=dp), intent(out) :: av(:,:)
    integer, intent(in) :: nocca, noccb

    real(kind=dp), pointer :: ppv(:,:)
    integer :: nbf

    nbf = ubound(av, 1)
    ppv(1:nocca, noccb+1:nbf) => pv(:)

    av = 0.0_dp
    av(1:nocca, noccb+1:nbf) = ppv(1:nocca, noccb+1:nbf)

  end subroutine iatogen