Skip to main navigation Skip to search Skip to main content

cclib 2.0: An updated architecture for interoperable computational chemistry (code)

Dataset

Description

Parsers and algorithms for computational chemistry logfiles
Date made available2026
PublisherGitHub

Software

  • Software

Contact

Access Dataset

  • cclib 2.0: An updated architecture for interoperable computational chemistry

    Berquist, E., Dumi, A., Upadhyay, S., Abarbanel, O. D., Cho, M., Gaur, S., Gil, R., Hutchison, G. R., Lee, O. S., Rosen, A. S., Schamnad, S., Schneider, F. S. S., Steinmann, C., Stolyarchuk, M., Vandezande, J. E., Zak, W. & Langner, K. M., 28 Jul 2025, In: The Journal of Chemical Physics. 161, 4, p. 1-12 12 p., 042501.

    Research output: Contribution to journal › Article › peer-review

    Open Access
    File

Cite this