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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

Documentation

The directory 'docs' contains documentation in the form of Jupyter notebooks and rst files, and 'examples' contains example Python scripts demonstrating the use of the various subpackages in dlmontepython.

API documentation can be found at https://dl_monte.gitlab.io/dlmontepython

Project details


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