refresh_trial_wf Subroutine

public subroutine refresh_trial_wf(trial_in, nexcit_calc, nexcit_keep, replica_pairs)

Arguments

Type IntentOptional Attributes Name
type(subspace_in) :: trial_in
integer, intent(in) :: nexcit_calc
integer, intent(in) :: nexcit_keep
logical, intent(in) :: replica_pairs

Contents

Source Code


Source Code

    subroutine refresh_trial_wf(trial_in, nexcit_calc, nexcit_keep, replica_pairs)
        type(subspace_in) :: trial_in
        integer, intent(in) :: nexcit_calc, nexcit_keep
        logical, intent(in) :: replica_pairs

        ! first, clear the current trial wavefunction
        call end_trial_wf()
        ! then, remove the flag from all determinants
        call reset_trial_space()
        ! now, generate the new trial wavefunction
        call init_trial_wf(trial_in, nexcit_calc, nexcit_keep, replica_pairs)
    end subroutine refresh_trial_wf