eon.communicator_inprocess

In-process communicator: jobs run as pyeonclient.Matter (no eonclient binary).

This is the Matter-through path: Structure/Atoms → pyeonclient.Matter → relax / (future jobs) → Structure

Requires the pyeonclient extension (-Dwith_pyeonclient=true). Cluster/MPI still use the file-based communicators.

Module Contents

Classes

LocalInProcess

Run client work in-process via Matter (nanobind), not a subprocess.

Data

logger

API

eon.communicator_inprocess.logger

‘getLogger(…)’

class eon.communicator_inprocess.LocalInProcess(scratchpath, bundle_size=1, config=None)

Bases: eon.communicator.Communicator

Run client work in-process via Matter (nanobind), not a subprocess.

Initialization

get_queue_size()

get_number_in_progress()

cancel_state(state)

submit_jobs(data, invariants)

Run each job dict in-process. Supports minimization-like jobs.

Job dict keys (legacy file names kept for explorer compatibility):

• pos.con — reactant structure (StringIO of .con text)

• id — job id string

get_results(resultspath=None, keep_result=None)

Return finished job dicts (legacy StringIO + Matter fields).