LCPQ/quantum_package
10
0
Fork 0
mirror of https://github.com/LCPQ/quantum_package synced 2024-12-26 06:14:43 +01:00
Code Issues Releases Wiki Activity

Fixed selection

Browse Source
This commit is contained in:
Anthony Scemama 2018-06-05 21:51:24 +02:00
parent ace711ae14
commit a4fded893f
2 changed files with 6 additions and 2 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

5
plugins/Full_CI_ZMQ/selection_davidson_slave.irp.f
View File

@ -63,13 +63,14 @@ subroutine run_wf
call wall_time(t0) call wall_time(t0)
if (zmq_get_psi(zmq_to_qp_run_socket,1) == -1) cycle if (zmq_get_psi(zmq_to_qp_run_socket,1) == -1) cycle
if (zmq_get_dvector(zmq_to_qp_run_socket,1,'energy',energy,N_states) == -1) cycle
if (zmq_get_dvector(zmq_to_qp_run_socket,1,'state_average_weight',state_average_weight,N_states) == -1) cycle
if (zmq_get_N_det_generators (zmq_to_qp_run_socket, 1) == -1) cycle if (zmq_get_N_det_generators (zmq_to_qp_run_socket, 1) == -1) cycle
if (zmq_get_N_det_selectors(zmq_to_qp_run_socket, 1) == -1) cycle if (zmq_get_N_det_selectors(zmq_to_qp_run_socket, 1) == -1) cycle
if (zmq_get_dvector(zmq_to_qp_run_socket,1,'energy',energy,N_states) == -1) cycle
if (zmq_get_dvector(zmq_to_qp_run_socket,1,'threshold_generators',threshold_generators,1) == -1) cycle if (zmq_get_dvector(zmq_to_qp_run_socket,1,'threshold_generators',threshold_generators,1) == -1) cycle
if (zmq_get_dvector(zmq_to_qp_run_socket,1,'threshold_selectors',threshold_selectors,1) == -1) cycle if (zmq_get_dvector(zmq_to_qp_run_socket,1,'threshold_selectors',threshold_selectors,1) == -1) cycle
psi_energy(1:N_states) = energy(1:N_states) psi_energy(1:N_states) = energy(1:N_states)
TOUCH psi_energy threshold_selectors threshold_generators TOUCH psi_energy state_average_weight threshold_selectors threshold_generators
call wall_time(t1) call wall_time(t1)
call write_double(6,(t1-t0),'Broadcast time') call write_double(6,(t1-t0),'Broadcast time')

3
plugins/Full_CI_ZMQ/zmq_selection.irp.f
View File

@ -44,6 +44,9 @@ subroutine ZMQ_selection(N_in, pt2)
if (zmq_put_dvector(zmq_to_qp_run_socket,1,'threshold_selectors',threshold_selectors,1) == -1) then if (zmq_put_dvector(zmq_to_qp_run_socket,1,'threshold_selectors',threshold_selectors,1) == -1) then
stop 'Unable to put threshold_selectors on ZMQ server' stop 'Unable to put threshold_selectors on ZMQ server'
endif endif
if (zmq_put_dvector(zmq_to_qp_run_socket,1,'state_average_weight',pt2_e0_denominator,size(state_average_weight)) == -1) then
stop 'Unable to put state_average_weight on ZMQ server'
endif
if (zmq_put_dvector(zmq_to_qp_run_socket,1,'threshold_generators',threshold_generators,1) == -1) then if (zmq_put_dvector(zmq_to_qp_run_socket,1,'threshold_generators',threshold_generators,1) == -1) then
stop 'Unable to put threshold_generators on ZMQ server' stop 'Unable to put threshold_generators on ZMQ server'
endif endif