Type | Intent | Optional | Attributes | Name | ||
---|---|---|---|---|---|---|
type(subspace_in) | :: | trial_in | ||||
integer, | intent(in) | :: | nexcit_calc | |||
integer, | intent(in) | :: | nexcit_keep | |||
logical, | intent(in) | :: | replica_pairs |
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