Description
A python package to analyze lnPi data from Transition Matrix Monte Carlo(TMMC) simulation. The main output from TMMC simulations, lnPi, provides a means to calculate a host of thermodynamicproperties. Moreover, if lnPi is calculated at a specific chemical potential, it can be reweighted to providethermodynamic information at a different chemical potential. The python packagetmmc-lnpy provides a wide array of routines to analyze lnPi data. These include: Reweighting to arbitrary chemical potential Segmenting lnPi (to identify unique phases) Containers for interacting with several values of lnPi in a vectorized way. Calculating thermodynamic properties from these containers* Calculating limits of stability, and phase equilibrium
Resources
| Name | Format | Description | Link |
|---|---|---|---|
| README | README.pdf | Open resource | |
| tmmc-lnpy: A python package to analyze Transition Matrix Monte Carlo lnPi data. | Unknown | Open resource |