Block or report user

Report or block dgasmith

Hide content and notifications from this user.

Contact Support about this user’s behavior.

Report abuse


@swcarpentry @psi4 @MolSSI @PyQC @MolSSI-Education

Pinned repositories

  1. psi4/psi4

    Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python

    C++ 244 197

  2. MolSSI/QCFractal

    A distributed compute and database platform for quantum chemistry.

    Python 8 6

  3. opt_einsum

    ⚡️Optimizing NumPy's einsum function with order optimization and GPU support.

    Python 117 16

  4. psi4/psi4numpy

    Combining Psi4 and Numpy for education and development.

    Jupyter Notebook 66 46

  5. gau2grid

    Fast computation of a gaussian and its derivative on a grid.

    Python 9 5

  6. MolSSI/EEX

    The Energy Expression Exchange for Molecular Dynamics.

    Python 4 4

2,408 contributions in the last year

Oct Nov Dec Jan Feb Mar Apr May Jun Jul Aug Sep Oct Mon Wed Fri

Contribution activity

October 2018

Created a pull request in MolSSI/QCFractal that received 7 comments

Separate Queue Manager

Description Moves the QueueManager technology to (optionally) be separate from the FractalServer. The following was complete: QueueNanny -> QueueM…

+1,319 −789 7 comments

Created an issue in vtlim/off_psi4 that received 1 comment

CMS Cookiecutter

You might want to consider the best practices and layouts found in this cookie cutter: It would be very …

1 comment
1 contribution in private repositories Oct 3

Seeing something unexpected? Take a look at the GitHub profile guide.