GitHub - molssi-seamm/forcefield_step: A SEAMM plug-in for setting up a forcefield or EAM potentials for subsequent simulations.

SEAMM Forcefield Plug-in

A SEAMM plug-in for setting up a forcefield or EAM potentials for subsequent simulations.

This plug-in provides a graphical user interface (GUI) for choosing the forcefield or EAM potentials use by subsequent simulation steps.

Support for PCFF class II forcefield.
Support for OpenKIM and the potentials it supports.
For OpenKIM potentials choice is managed through a periodic table interface, making it simple to find the right potentials.

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

Name		Name	Last commit message	Last commit date
Latest commit History 196 Commits
.github		.github
devtools		devtools
docs		docs
forcefield_step		forcefield_step
tests		tests
.codecov.yml		.codecov.yml
.coveragerc		.coveragerc
.editorconfig		.editorconfig
.gitignore		.gitignore
.lgtm.yml		.lgtm.yml
.pyup.yml		.pyup.yml
.readthedocs.yml		.readthedocs.yml
.travis.yml		.travis.yml
.yapfignore		.yapfignore
AUTHORS.rst		AUTHORS.rst
CONTRIBUTING.rst		CONTRIBUTING.rst
HISTORY.rst		HISTORY.rst
LICENSE		LICENSE
MANIFEST.in		MANIFEST.in
Makefile		Makefile
README.rst		README.rst
appveyor.yml		appveyor.yml
requirements.txt		requirements.txt
requirements_dev.txt		requirements_dev.txt
setup.cfg		setup.cfg
setup.py		setup.py
tox.ini		tox.ini
travis_pypi_setup.py		travis_pypi_setup.py
versioneer.py		versioneer.py