Published October 4, 2019
| Version 1.0.0-RC2
Software
Open
openforcefield/openforcefields: OpenFF-1.0.0 Release Candidate 2
Description
Adds OpenFF-1.0.0 Release Candidate 2. This is taken from the QM-only refit performed in https://github.com/lpwgroup/forcebalance-qcarchive/releases/tag/v0.0.9. The new files, openff-1.0.0-RC2.offxml and openff_unconstrained-1.0.0-RC2.offxml, are copies of result.offxml in that release tarball, with tabs converted to spaces, author and date fields filled, and cosmetic attributes removed. The constraints in openff-1.0.0-RC2.offxml are copied from release candidate 1.
Files
openforcefield/openforcefields-1.0.0-RC2.zip
Files
(82.4 kB)
| Name | Size | Download all |
|---|---|---|
|
md5:e6baf4494bd8c9089d84c45b4e2d6351
|
82.4 kB | Preview Download |
Additional details
Related works
- Is supplement to
- https://github.com/openforcefield/openforcefields/tree/1.0.0-RC2 (URL)