This project is a Python implementation of the [mapped-averaging] (https://pubs.acs.org/doi/abs/10.1021/acs.jctc.6b00018) method for precise estimation of ensemble averages from molecular simulation outputs.
-
Notifications
You must be signed in to change notification settings - Fork 2
Resources to support the use of mapped averaging with other molecular simulation packages
License
etomica/mapped-averaging
Folders and files
| Name | Name | Last commit message | Last commit date | |
|---|---|---|---|---|
Repository files navigation
About
Resources to support the use of mapped averaging with other molecular simulation packages
Resources
License
Stars
Watchers
Forks
Releases
No releases published
Packages 0
No packages published