lammps-step 0.9

lammps_step

LAMMPS step

The LAMMPS step for a SEAMM flowchart

• Free software: BSD license

• Documentation: https://lammps-step.readthedocs.io.

Contributing

Creating a feature branch

When starting work on a new feature, branch off from the develop branch:

$ git checkout -b myfeature
Switched to a new branch "myfeature"

Features

• TODO

Credits

This package was created with Cookiecutter and the molssi-seamm/cookiecutter-seamm-plugin project template.

Developed by the Molecular Sciences Software Institute (MolSSI), which receives funding from the National Science Foundation under award ACI-1547580

History

0.1.0 (2017-12-20)

• First release on PyPI.

0.8.2 (2020-01-25)

• No significant changes in functionality.

• Incorporating changes to the SEAMM infrastructure, which simplify the code for plug-ins.

• Updating the Travis CI to handle incompatible changes in Travis, and to use Conda environments in all steps.