v1.1.0

This release is mainly composed of clarifications and corrections in the documentation, and one bug fix.

Previously, when creating a cluster based on a supercell, this cluster would not retain the bonding information of the original unit cell. This caused errors such as fro_uc_tools.py generating clusters with wrongly detected molecules, and the user not being able to change the bonding info to fix this. Now, the bonding information persists as intended.

v1.0.0

This release accompanies the publication of the principal paper describing fromage:

Rivera, M., Dommett, M., Sidat, A., Rahim, W., Crespo‐Otero, R. fromage: A library for the study of molecular crystal excited states at the aggregate scale. J Comput Chem 2020; 1– 14. https://doi.org/10.1002/jcc.26144

v1.0-beta

This is the first release of fromage, as such the version name convention may still change. It compiles and runs, but the associated publication has not been reviewed yet.