Skip to content

User Submitted Plug Ins and Scripts

Darian Yang edited this page Jun 28, 2022 · 3 revisions

Table of Contents

How To Contribute

Where appropriate, please use a git/mercurial repository, and link to the repo from this page. For individual scripts, use gists, which are essentially one file git repositories that may be linked with their own unique URL. This avoids cluttering the page and allows for version control, even for individual scripts. Please include contact information, if desired, and a brief description of what the script does. For now, please simply add in scripts; as more are added, they will be organized appropriately.

Plug-ins

Author: Joshua Adelman

Description: See site for description & download.

Scripts

Author: AJ Pratt

Contact: ajp105@pitt.edu

Description: Pulls wallclock and CPU time from a WESTPA .h5 file and prints it to the console. Useful for quickly converting this information into human readable format.

Author: Alex DeGrave

Contact: ajd98@pitt.edu

Description: Generates a movie of the time evolution of a free energy surface from a WESTPA simulation. An example from a 2-dimensional, 2-well toy model.

Author: AJ Pratt

Contact: ajp105@pitt.edu

Description: A sample function, as used in w_select. Pulls in the progress coordinate information for an N dimensional system and checks to see if the final timepoint of each segment is larger than 5. If so, it adds it to the collection of seg_ids to be returned.

Clone this wiki locally