From efd37a5adc258dab81ae04a3f7b2f5a73294cf76 Mon Sep 17 00:00:00 2001 From: Yann Garniron Date: Tue, 21 Nov 2017 15:10:52 +0100 Subject: [PATCH] removed useless parameter coef in mrcc_part_dress_1c --- plugins/mrcepa0/dressing.irp.f | 7 +++---- plugins/mrcepa0/run_mrcc_slave.irp.f | 2 +- 2 files changed, 4 insertions(+), 5 deletions(-) diff --git a/plugins/mrcepa0/dressing.irp.f b/plugins/mrcepa0/dressing.irp.f index d8828637..620605ff 100644 --- a/plugins/mrcepa0/dressing.irp.f +++ b/plugins/mrcepa0/dressing.irp.f @@ -611,7 +611,7 @@ end -subroutine mrcc_part_dress_1c(delta_ij_, delta_ii_,delta_ij_s2_, delta_ii_s2_,i_generator,n_selected,det_buffer,Nint,key_mask,coef,contrib) +subroutine mrcc_part_dress_1c(delta_ij_, delta_ii_,delta_ij_s2_, delta_ii_s2_,i_generator,n_selected,det_buffer,Nint,key_mask,contrib) use bitmasks implicit none @@ -651,7 +651,6 @@ subroutine mrcc_part_dress_1c(delta_ij_, delta_ii_,delta_ij_s2_, delta_ii_s2_,i_ logical, external :: detEq, is_generable !double precision, external :: get_dij, get_dij_index double precision :: Delta_E_inv(N_states) - double precision, intent(in) :: coef double precision, intent(inout) :: contrib(N_states) double precision :: sdress, hdress @@ -846,8 +845,8 @@ subroutine mrcc_part_dress_1c(delta_ij_, delta_ii_,delta_ij_s2_, delta_ii_s2_,i_ hla = hij_cache(k_sd) sla = sij_cache(k_sd) do i_state=1,N_states - dIa_hla(i_state,k_sd) = dIa(i_state) * hla * coef - dIa_sla(i_state,k_sd) = dIa(i_state) * sla * coef + dIa_hla(i_state,k_sd) = dIa(i_state) * hla + dIa_sla(i_state,k_sd) = dIa(i_state) * sla enddo enddo do i_state=1,N_states diff --git a/plugins/mrcepa0/run_mrcc_slave.irp.f b/plugins/mrcepa0/run_mrcc_slave.irp.f index cf87a7ea..b6088424 100644 --- a/plugins/mrcepa0/run_mrcc_slave.irp.f +++ b/plugins/mrcepa0/run_mrcc_slave.irp.f @@ -105,7 +105,7 @@ subroutine run_mrcc_slave(thread,iproc,energy) if(n /= 0) then call mrcc_part_dress_1c(delta_ij_loc(1,1,1), delta_ii_loc(1,1), delta_ij_loc(1,1,2), delta_ii_loc(1,2), & - i_generator,n,abuf,N_int,omask,1d0,contrib) + i_generator,n,abuf,N_int,omask,contrib) endif end do !!!!!!!!!!!!!!!!!!!!!!