Skip to content

Python module implementing the String Method [Weinan, Phys. Rev. B, 66, 052301, (2002)] for finding a minimum free energy pathway (MFEP) between two basins on a 2-D free-energy surface obtained through other methods (e.g. Metadynamics).

Notifications You must be signed in to change notification settings

ollyfutur/string-method

Folders and files

NameName
Last commit message
Last commit date

Latest commit

 

History

2 Commits
 
 
 
 
 
 

Repository files navigation

string-method

Python module implementing the String Method (Weinan, Phys. Rev. B, 66, 052301, (2002)) for finding a minimum free energy pathway (MFEP) between two basins on a 2-D free-energy surface obtained through other methods (e.g. Metadynamics).

How to use?

See example notebook.

About

Python module implementing the String Method [Weinan, Phys. Rev. B, 66, 052301, (2002)] for finding a minimum free energy pathway (MFEP) between two basins on a 2-D free-energy surface obtained through other methods (e.g. Metadynamics).

Resources

Stars

Watchers

Forks

Releases

No releases published

Packages

No packages published