Latest version is 1.2, released Mar 12, 2016

PyWham is a flexible and fully customizable implementation of the Weighted Histogram Analysis Method (WHAM) in Python 2. PyWham has been carefully designed with flexibility in mind. Some of its features are: (1) any number of reaction coordinates, (2) any form of potential, (3) compatibility with Python syntax and Python math module and (4) support for user-defined functions. Knowledge of Python is not required.

Features

  • Arbitrary form of potential
  • Arbitrary number of coordinates
  • Free energy, heat capacity and ensemble average
  • Interdependence of reaction coordinates
  • Construction of composite coordinates and configurational quantities
  • Support for 128-bit float
  • Support for user-defined functions

Project Activity

See All Activity >

License

GNU General Public License version 3.0 (GPLv3)

Follow PyWham

PyWham Web Site

Other Useful Business Software
Our Free Plans just got better! | Auth0 Icon
Our Free Plans just got better! | Auth0

With up to 25k MAUs and unlimited Okta connections, our Free Plan lets you focus on what you do best—building great apps.

You asked, we delivered! Auth0 is excited to expand our Free and Paid plans to include more options so you can focus on building, deploying, and scaling applications without having to worry about your security. Auth0 now, thank yourself later.
Try free now
Rate This Project
Login To Rate This Project

User Reviews

Be the first to post a review of PyWham!

Additional Project Details

Programming Language

Python

Related Categories

Python Scientific Engineering

Registered

2015-09-20