diff --git a/src/task/task_bsse.F b/src/task/task_bsse.F index 6520eb8dd6..f704f326de 100644 --- a/src/task/task_bsse.F +++ b/src/task/task_bsse.F @@ -979,15 +979,12 @@ c----------------------------------------------------------------------- bsse_error = 0.0d0 - i = 1 + do j = 1, nmon,2 - do j = 1, nmon - - m_error(j) = mon_energy(i) - mon_energy(i+1) + m_error(j) = mon_energy(j) - mon_energy(j+1) bsse_error = bsse_error + m_error(j) - i= i + 2 - enddo + enddo final_spr_energy = spr_energy + bsse_error c @@ -1270,11 +1267,8 @@ c----------------------------------------------------------------------- bsse_error = 0.0d0 - i = 1 - - do j = 1, nmon - bsse_error = bsse_error + mon_energy(i) - mon_energy(i+1) - i= i + 2 + do j = 1, nmon,2 + bsse_error = bsse_error + mon_energy(j) - mon_energy(j+1) enddo c @@ -1605,13 +1599,10 @@ c c bsse_error = 0.0d0 - i = 1 + do j = 1, nmon,22 - do j = 1, nmon - - m_error(j) = mon_energy(i) - mon_energy(i+1) + m_error(j) = mon_energy(j) - mon_energy(j+1) bsse_error = bsse_error + m_error(j) - i= i + 2 enddo c