Tools associated with the Monte Carlo simulation program DL_MONTE
Project description
Python tools associated with the Monte Carlo simulation program DL_MONTE (project homepage: https://gitlab.com/dl_monte).
Key functionality includes:
- Functions for applying various analysis methods to data obtained from molecular simulation, including histogram reweighting and block averaging
- A Python interface to DL_MONTE
- A framework for automating calculations of, e.g. isotherms, using DL_MONTE
See the 'README.md' file for more detailed information about this library.
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