This repository includes utility scripts to for free energy calculations for reactions in vapor phase and condensed phase using Bennett Acceptance Ratio as the free energy estimator.
-
Notifications
You must be signed in to change notification settings - Fork 1
mosaleheen/free_energy_calculations
Folders and files
| Name | Name | Last commit message | Last commit date | |
|---|---|---|---|---|
Repository files navigation
About
A repository of scripts for free energy calculations in vapor and condensed phases
Resources
Stars
Watchers
Forks
Releases
No releases published
Packages 0
No packages published