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This commit is contained in:
Anthony Scemama 2020-09-03 17:08:45 +02:00
parent fd7825ea74
commit 8c75ad6cfa
1 changed files with 3 additions and 3 deletions
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src/cipsi/pt2_stoch_routines.irp.f
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@ -287,9 +287,9 @@ subroutine ZMQ_pt2(E, pt2_data, pt2_data_err, relative_error, N_in)
call omp_set_nested(.false.) call omp_set_nested(.false.)
print '(A)', '========== ======================= ========= ========== ========== ========== ========== ' print '(A)', '========== ====================== ===================== ===================== ==========='
print '(A)', ' Samples Energy Variance Norm^2 Seconds' print '(A)', ' Samples Energy Variance Norm^2 Seconds'
print '(A)', '========== ======================= ==================== ===================== ==========' print '(A)', '========== ====================== ===================== ===================== ==========='
PROVIDE global_selection_buffer PROVIDE global_selection_buffer
@ -312,7 +312,7 @@ subroutine ZMQ_pt2(E, pt2_data, pt2_data_err, relative_error, N_in)
!$OMP END PARALLEL !$OMP END PARALLEL
call end_parallel_job(zmq_to_qp_run_socket, zmq_socket_pull, 'pt2') call end_parallel_job(zmq_to_qp_run_socket, zmq_socket_pull, 'pt2')
print '(A)', '========== ================= =========== =============== =============== =================' print '(A)', '========== ====================== ===================== ===================== ==========='
do k=1,N_states do k=1,N_states
pt2_overlap(pt2_stoch_istate,k) = pt2_data % overlap(k,pt2_stoch_istate) pt2_overlap(pt2_stoch_istate,k) = pt2_data % overlap(k,pt2_stoch_istate)