Published March 12, 2022
| Version 0.1.0
Software
Open
openforcefield/openff-recharge: 0.1.0
Description
Implemented enhancements:
- Add initial theory document #100 (SimonBoothroyd)
- Add initial documentation #99 (SimonBoothroyd)
- Make framework independent of OpenEye #97 (SimonBoothroyd)
- Add initial support for arbitrary base charges #96 (SimonBoothroyd)
Fixed bugs:
- Fix optimization term matrix ordering #98 (SimonBoothroyd)
Files
openforcefield/openff-recharge-0.1.0.zip
Files
(417.2 kB)
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|---|---|---|
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md5:d20d097030e60fb922c1e1cb4c457a0d
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Additional details
Related works
- Is supplement to
- https://github.com/openforcefield/openff-recharge/tree/0.1.0 (URL)