This data-only repository contains computational chemistry logfiles used as regressions for the cclib library. Regression tests are generally run using the development version of cclib, so these logfiles might not be parsable by older cclib 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
simonaxelrod/cclib-data
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