Skip to content
View berquist's full-sized avatar
140 followers · 75 following

Organizations

@isi-nlp @cclib @ReScience @LambrechtLab @sstsimulator @spack @isi-vista @algorithm-archivists

Block or report berquist

Block user

Prevent this user from interacting with your repositories and sending you notifications. Learn more about blocking users.

You must be logged in to block users.

Please don't include any personal information such as legal names or email addresses. Maximum 100 characters, markdown supported. This note will be visible to only you.
Report abuse

Contact GitHub support about this user’s behavior. Learn more about reporting abuse.

Report abuse

Pinned Loading

  1. libresponse libresponse Public

    Forked from LambrechtLab/libresponse

    A library for solving (linear) response equations in quantum chemistry

    C 1 1

  2. pymolresponse pymolresponse Public

    Molecular frequency-dependent response properties for arbitrary operators

    Python 9 3

  3. cclib/cclib cclib/cclib Public

    Parsers and algorithms for computational chemistry logfiles

    Python 336 168

  4. psi4/psi4numpy psi4/psi4numpy Public

    Combining Psi4 and Numpy for education and development.

    Jupyter Notebook 347 159

  5. boys boys Public

    Multiple algorithms for calculating the Boys function

    Rust

  6. rchem rchem Public

    Ab initio quantum chemistry in Rust from scratch

    Rust 12