* Added handling of the OPLS-AA forcefield * Moved documentation to new MolSSI theme and diátaxis layout * Cleaned up internale dependencies and workflows for GitHub
2022.10.31
Properties with commas in their name in data/properties.csv need to have quotes to protect the property name!
2022.10.27
* Added properties to be saved in the database. * Updated calls to `pymbar` because the names of methods were changed. * Add the missing references for `pymbar`
2021.2.11
* Updated the README file to give a better description. * Updated the short description in setup.py to work with the new installer. * Added keywords for better searchability.
2021.2.4.1
Internal patch to fix CI; no changes for users.
2021.2.4
Updated for compatibility with the new system classes in MolSystem 2021.2.2 release.