* The SHAPES-type simple fourier potential used for octahedral complexes has a fals minimim at 0º. Added a LJ 1/R^12 repulsive term between the two end atoms of the angle to prevent small angles. This required using tabulated potentials in LAMMPS.
2023.5.1
* Fixed a typo in the angle type unit line which caused a crash
2023.4.6
* An initial set of parameters for cathode materials, specifically LiCoO2.
2023.2.13
* Added parameters for OPLS-AA along with some extra parameters for ionic liquids * PF6- * ethylene carbonate (EC) and fluoronated EC (FEC) * Added atom-typing templates for most of OPLS-AA. Still missing a few and amino acids and DNA not yet tested. * Added extensive, almost-complete testing, for OPLS-AA
2021.2.10
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* 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.