subroutine open_replica_est_file() use CalcData, only: tEN2Init, tEN2Rigorous use fcimc_output, only: open_create_stats use global_det_data, only: replica_est_len use util_mod, only: get_free_unit integer :: j if (iProcIndex == 0) then replica_est_unit = get_free_unit() call open_create_stats('replica_estimates', replica_est_unit) write(replica_est_unit, '("#", 4X, "Iteration")', advance='no') do j = 1, replica_est_len write(replica_est_unit, '(7x,"Energy numerator")', advance='no') write(replica_est_unit, '(5x,"Energy^2 numerator")', advance='no') if (tEN2Init) then write(replica_est_unit, '(10x,"EN2 numerator")', advance='no') write(replica_est_unit, '(9x,"Var + EN2 num.")', advance='no') end if if (tEN2Rigorous) then write(replica_est_unit, '(10x,"Var + EN2 new")', advance='no') end if write(replica_est_unit, '(10x,"Normalisation")', advance='no') if (tEN2Rigorous) then write(replica_est_unit, '(11x,"B correction")', advance='no') write(replica_est_unit, '(10x,"C denominator")', advance='no') end if write(replica_est_unit, '(8x,"Precond. energy")', advance='no') write(replica_est_unit, '(9x,"Precond. norm.")', advance='no') end do write(replica_est_unit, '()') end if end subroutine open_replica_est_file