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quantum_package
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removed useless parameter coef in mrcc_part_dress_1c

This commit is contained in:
Yann Garniron 2017-11-21 15:10:52 +01:00
parent aec9872ccb
commit efd37a5adc
2 changed files with 4 additions and 5 deletions
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7
plugins/mrcepa0/dressing.irp.f
View File

@ -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

2
plugins/mrcepa0/run_mrcc_slave.irp.f
View File

@ -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
!!!!!!!!!!!!!!!!!!!!!!