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  • Massachusetts Institute of Technology
  • Cambridge, USA

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  1. chemcoord Public

    A python module for manipulating cartesian and internal coordinates.

    Python 76 19

  2. ghb24/NECI_STABLE Public

    Standalone NECI codebase designed for FCIQMC and other stochastic quantum chemistry methods.

    Fortran 44 18

  3. chemopt Public

    Optimise molecules using Zmatrices and symbolic algebra to reduce degrees of freedom.

    Python 4 3

331 contributions in the last year

Contribution Graph
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Activity overview

Contributed to troyvvgroup/quemb, mcocdawc/chemcoord, gkclab/libdmet_preview and 6 other repositories
Loading A graph representing mcocdawc's contributions from January 21, 2024 to January 21, 2025. The contributions are 58% commits, 23% pull requests, 11% issues, 8% code review. 8% Code review 11% Issues 23% Pull requests 58% Commits

Contribution activity

January 2025

Created 18 commits in 2 repositories

Created a pull request in troyvvgroup/quemb that received 3 comments

Simplify init

moved the saving operation out of the init method. don't redundantly store information from fobj, but use fobj itself directly.

+143 −169 lines changed 3 comments
Opened 19 other pull requests in 2 repositories
mcocdawc/chemcoord 2 open 12 merged 2 closed
troyvvgroup/quemb 2 open 1 merged
Reviewed 6 pull requests in 1 repository
troyvvgroup/quemb 6 pull requests

Created an issue in troyvvgroup/quemb that received 1 comment

issues with graphgen

While comparing the output of the different fragmentation codes, i.e. "autogen", "graphgen" and my upcoming "chemgen" (#85) for larger molecules I …

4 tasks
1 comment
Opened 8 other issues in 2 repositories
mcocdawc/chemcoord 5 open 2 closed
troyvvgroup/quemb 1 open
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