Releases: choderalab/thermopyl
Releases · choderalab/thermopyl
v1.0.1
Initial release corresponding to arXiv:1506.00262
This initial release is intended to provide the exploratory functionality described in the arXiv preprint:
Towards Automated Benchmarking of Atomistic Forcefields: Neat Liquid Densities and Static Dielectric Constants from the ThermoML Data Archive
Kyle A. Beauchamp, Julie M. Behr, Ariën S. Rustenburg, Christopher I. Bayly, Kenneth Kroenlein, John D. Chodera
http://arxiv.org/abs/1506.00262
v0.1
Merge pull request #10 from kyleabeauchamp/lowmem [WIP] Avoid copy and memory usage in parsing script.