search

QChASM / Aaron

AARON (An Automated Reaction Optimizer for New catalysts) automates DFT optimizations of TS structures for asymmetric catalytic reactions.
GNU General Public License v3.0
15 stars 11 forks source link

Create pg2xyz #2

Closed yanfeiguan closed 6 years ago

yanfeiguan commented 6 years ago

This is a test pull request for collaborating on github. When we work together on git, never change code directly on the default branch (master). Instead, we should make a new branch for each new topic, and then push new commit to this branch. Request a review for the change. If it's okay, then merge to the master.

yanfeiguan commented 6 years ago

This pull request is to slove #1