diff --git a/src/perturbation/EZFIO.cfg b/src/perturbation/EZFIO.cfg index c4c304e0..ab9cfc1a 100644 --- a/src/perturbation/EZFIO.cfg +++ b/src/perturbation/EZFIO.cfg @@ -6,21 +6,19 @@ default: True [pt2_max] type: PT2_energy -doc: The selection process stops when the largest |PT2| (for all the state) is lower - than `pt2_max` in absolute value +doc: The selection process stops when the largest |PT2| (for all the state) is lower than `pt2_max` in absolute value interface: ezfio,provider,ocaml default: 0.0001 [pt2_relative_error] type: Normalized_float -doc: Stop stochastic |PT2| when the relative error is smaller than `PT2_relative_error` +doc: Stop stochastic |PT2| when the relative error is smaller than `pT2_relative_error` interface: ezfio,provider,ocaml default: 0.002 [correlation_energy_ratio_max] type: Normalized_float -doc: The selection process stops at a fixed correlation ratio (useful for getting same accuracy between molecules). - Defined as :math:`{E_{CI}-E_{HF}}/{E_{CI}+E_{PT2} - E_{HF}}`. +doc: The selection process stops at a fixed correlation ratio (useful for getting same accuracy between molecules). Defined as :math:`(E_{CI}-E_{HF})/(E_{CI}+E_{PT2} - E_{HF})`. interface: ezfio,provider,ocaml default: 1.00 diff --git a/src/zmq/utils.irp.f b/src/zmq/utils.irp.f index d2901a80..939c7b3a 100644 --- a/src/zmq/utils.irp.f +++ b/src/zmq/utils.irp.f @@ -246,7 +246,7 @@ IRP_ENDIF ! stop 'Unable to set ZMQ_RCVBUF on pull socket' ! endif - rc = f77_zmq_setsockopt(new_zmq_pull_socket,ZMQ_RCVHWM,10,4) + rc = f77_zmq_setsockopt(new_zmq_pull_socket,ZMQ_RCVHWM,8,4) if (rc /= 0) then stop 'Unable to set ZMQ_RCVHWM on pull socket' endif @@ -323,7 +323,7 @@ IRP_ENDIF stop 'Unable to set ZMQ_LINGER on push socket' endif - rc = f77_zmq_setsockopt(new_zmq_push_socket,ZMQ_SNDHWM,10,4) + rc = f77_zmq_setsockopt(new_zmq_push_socket,ZMQ_SNDHWM,1,4) if (rc /= 0) then stop 'Unable to set ZMQ_SNDHWM on push socket' endif