Computational chemistry logfiles used as regression tests by cclib
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ADF
DALTON
GAMESS-UK
GAMESS
Gaussian
Jaguar
MOPAC/MOPAC2016
Molcas/Molcas8.0
Molpro
NWChem
ORCA
Psi3/Psi3.4
Psi4
QChem
Turbomole/Turbomole
.gitignore
README.md
regressionfiles.txt

README.md

cclib-data

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.