openforcefield / open-forcefield-tools

Tools for open forcefield development
MIT License
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Implement prototype property calculation for densities #8

Open davidlmobley opened 8 years ago

davidlmobley commented 8 years ago

The API introduced in https://github.com/jchodera/open-forcefield-tools/blob/master/README.md needs implementation; @jchodera said he will implement a prototype of it (presumably for densities) over the weekend.

If he doesn't end up with time, then @mrshirts and I should probably begin work on pieces ourselves.