tmmc-lnpy: A python package to analyze Transition Matrix Monte Carlo lnPi data.
收藏NIST Chemistry WebBook2022-10-07 更新2026-03-14 收录
下载链接：
https://data.nist.gov/od/id/mds2-2785
下载链接
链接失效反馈官方服务：
资源简介：
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 thermodynamic
properties. Moreover, if ``lnPi`` is calculated at a specific chemical potential, it can be reweighted to provide
thermodynamic information at a different chemical potential. The python package``tmmc-lnpy`` provides a wide array of routines to analyze ``lnPi`` data. These include:
