![gausssum analysis gausssum analysis](https://slidetodoc.com/presentation_image/36dca76191143d83ce6a4a524cdebc56/image-10.jpg)
To keep up to date with the latest news, use this RSS feed.Ĭclib started as a collaboration between Noel O'Boyle and Adam Tenderholt, later joined by Karol Langner. If you need help, find a bug, want new features or have any questions, please send an email to our mailing list. Applications that use cclib include GaussSum and QMForge.
GAUSSSUM ANALYSIS HOW TO
For information on how to use cclib, see the tutorial. (For a complete list see Extracted Data).Ĭclib also provides some calculation methods for interpreting some electronic properties of molecules using analyses such as:
![gausssum analysis gausssum analysis](https://pubs.rsc.org/image/article/2020/RA/d0ra03444d/d0ra03444d-f6_hi-res.gif)
The current version cclib 1.1 parses output files from ADF, GAMESS (US), GAMESS-UK, Gaussian, Jaguar, Molpro, ORCA and Firefly. Welcome to cclibĬclib is an open source library, written in Python, for parsing and interpreting the results of computational chemistry packages. Visit the repository and online docs for current information about cclib. IMPORTANT: the development of cclib has moved to github.