Published October 18, 2023
| Version v0.3.16
Software
Open
openforcefield/openff-interchange: 0.3.16
Authors/Creators
- 1. Open Molecular Software Foundation
- 2. @openforcefield
- 3. Vanderbilt University
- 4. @mosdef-hub
- 5. PingThings
- 6. Treeline Biosciences
- 7. @choderalab & @OpenFreeEnergy
Description
0.3.16 Improved virtual site support
This release exposes an ewald_tolerance argument to OpenMM methods and refactors how OpenMM virtual site objects, and positions of systems containing virtual sites, are constructed
For the complete release notes, please see the release history.
For help installing Interchange, the installation instructions.
Please report bugs, request features, or ask questions through our issue tracker.
Please note that there may still be some changes to the API prior to a stable 1.0.0 release.
Files
openforcefield/openff-interchange-v0.3.12.zip
Files
(3.1 MB)
| Name | Size | Download all |
|---|---|---|
|
md5:8f355ed5724a6b5228c6a9955165e65d
|
1.6 MB | Preview Download |
|
md5:2a930ea7c6b5f06b1e0acfdbb3391cca
|
1.5 MB | Preview Download |
Additional details
Related works
- Is supplement to
- Software: https://github.com/openforcefield/openff-interchange/tree/v0.3.16 (URL)