Releases: BlauGroup/RNMC
Releases · BlauGroup/RNMC
Re-release for Zenodo
Nothing has changed since v1.1.0, but the old version for some reason can't show up on Zenodo (for archiving). Hopefully this new release does the trick!
v1.1.0
v1.0.0
First complete version, including three applications: GMC, NMPC, and LGMC.
Credit:
@danielbarter for starting RNMC, writing most of core and the SQLite interface, and writing the initial GMC implementation
@sivonxay for most of NMPC
@lrzichi @lzichi for creating the energy budget for GMC, writing most of LGMC, unifying the different applications (GMC, NMPC, and LGMC), writing unit tests, and writing documentation
v0.1
- Core code has stabilized
- Two simulators implemented
- Code used for production calculations in this manuscript: https://chemrxiv.org/engage/chemrxiv/article-details/61de120c636cc9427c47daa8