This repository contains computational chemistry logfiles used as regressions for testing the cclib library. The regression tests are generally run using the development version of cclib, so they might not work propoerly for older versions.
forked from cclib/cclib-data
-
Notifications
You must be signed in to change notification settings - Fork 0
Computational chemistry logfiles used as regression tests by cclib
mwykes/cclib-data
This commit does not belong to any branch on this repository, and may belong to a fork outside of the repository.
Folders and files
| Name | Name | Last commit message | Last commit date | |
|---|---|---|---|---|
Repository files navigation
About
Computational chemistry logfiles used as regression tests by cclib
Resources
Stars
Watchers
Forks
Releases
No releases published
Packages 0
No packages published
Languages
- Python 100.0%