submit_args.rst

Arguments of the submit script

Note

One can load, modify, and export the input file by using our effective web-based tool DP-GUI online or hosted using the :ref:`command line interface <cli>` dpgen2 gui. All parameters below can be set in DP-GUI. By clicking "SAVE JSON", one can download the input file.

.. dargs::
   :module: dpgen2.entrypoint.args
   :func: submit_args

Task group definition

LAMMPS task group

.. dargs::
   :module: dpgen2.exploration.task
   :func: lmp_task_group_args

CALYPSO task group

.. dargs::
   :module: dpgen2.exploration.task
   :func: caly_task_group_args