Skip to content

2.2.1

Latest
Latest
Compare
Choose a tag to compare
@lilyminium lilyminium released this 11 Sep 05:42
2.2.1
b70c449
This commit was created on github.com and signed with GitHub’s verified signature.
GPG key ID: B5690EEEBB952194
Learn about vigilant mode.

This is a full release of 2.2.1, which fixes linear angles from Sage 2.2.0 to stay at 180 degrees.

Additional files

Most scripts and benchmarks have been added to the repo themselves. For reasons of size, additional files are added as assets to this release. To keep this release small, only the pertinent 2.2.0 and 2.2.1-rc1 benchmarks were added. Please see the previous 2.2.1-rc1 release for additional benchmarks.

  • *.sqlite.tar.gz: These are the sqlite databases of optimized QM geometries for the 2.2.0 and 2.2.1-rc1 force fields, where the 2.2.1 force field has identical parameters to 2.2.1-rc1. The databases are MoleculeStores from yammbs. They were originally stored in the sage-2.2.1/05_benchmark_forcefield/ directory.
Assets 4
Loading