Skip to content

This repository contains scripts to test the performance of different path optimization appraches to compute transition states and the minimum energy paths.

License

Notifications You must be signed in to change notification settings

kumaranu/mep_tests

About

This repository contains scripts to test the performance of different path optimization appraches to compute transition states and the minimum energy paths.

Topics

Resources

License

Code of conduct

Stars

Watchers

Forks

Releases

No releases published

Packages

No packages published