/pyiron-dynamic-executable

Generate pyiron JobClasses dynamically

Primary LanguageJupyter NotebookBSD 3-Clause "New" or "Revised" LicenseBSD-3-Clause

pyiron dynamic

Binder

The job class MydynamicJob is defined based on the files in the directory pyiron/resources/dynamic/MydynamicJob. The directory contains:

  • input.json - default input dictionary store in JSON format
  • script.py - python module which contains the write_input() and collect_output() functions
  • bin/run_mydynamicjob_0.0.1.sh - shell script for serial execution
  • bin/run_mydynamicjob_0.0.1_mpi.sh - shell script for MPI parallel execution