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View Code? Open in Web Editor NEWA template repo for disseminating force fields with foyer
Home Page: https://github.com/mosdef-hub/foyer
A template repo for disseminating force fields with foyer
Home Page: https://github.com/mosdef-hub/foyer
To help ensure that people are providing all the information required with a forcefield (e.g., Original source, who created it, etc.) it might be worth it to create what is basically just an XML version of the Readme, so we can more easily validate content. It would also be useful for creating a database of forcefields.
I imagine we could write a quick parsing tool that automatically generates the readme file (AND provides warnings if required information is not defined) so you only have to write this stuff once.
Things that seem like they should be required:
A more detailed, step-by-step process. E.g., include things like:
When running locally, the script could query our upstream repo to see if anything has updated. If yes, tell user exactly how to update and/or provide script to do updating for them.
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