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molpro

Popular repositories

  1. pymolpro pymolpro Public

    Python utilities for Molpro

    Python 7 7

  2. sjef sjef Public

    Simple Job Execution Framework

    C++ 2 4

  3. iMolpro iMolpro Public

    JavaScript 2 2

  4. cwrsync cwrsync Public

    Mirror of https://www.itefix.net/cwrsync

    Batchfile 1

  5. homebrew-ga homebrew-ga Public

    Homebrew tap for Global Arrays and MPICH

    Ruby

  6. utilities utilities Public

    Utilities library

    C++

Repositories

Showing 10 of 29 repositories
  • iMolpro Public
    molpro/iMolpro’s past year of commit activity
    JavaScript 2 GPL-3.0 2 17 0 Updated Sep 3, 2024
  • ppidd Public

    M. Wang, A. J. May, and P. J. Knowles, “Improved version of parallel programming interface for distributed data with multiple helper servers,” Comp. Phys. Commun., vol. 182, no. 7, pp. 1502–1506, Jul. 2011. doi:10.1016/j.cpc.2011.03.020 https://dx.doi.org/10.1016/j.cpc.2011.03.020

    molpro/ppidd’s past year of commit activity
    C++ 0 0 0 0 Updated Sep 2, 2024
  • sjef Public

    Simple Job Execution Framework

    molpro/sjef’s past year of commit activity
    C++ 2 4 8 0 Updated Sep 2, 2024
  • mctc-lib Public Forked from grimme-lab/mctc-lib

    Modular computation tool chain library

    molpro/mctc-lib’s past year of commit activity
    Fortran 0 Apache-2.0 17 0 0 Updated Aug 31, 2024
  • multicharge Public Forked from grimme-lab/multicharge

    Electronegativity equilibration model for atomic partial charges

    molpro/multicharge’s past year of commit activity
    Fortran 0 Apache-2.0 12 0 0 Updated Aug 30, 2024
  • mstore Public Forked from grimme-lab/mstore

    Molecular structure store for testing

    molpro/mstore’s past year of commit activity
    Fortran 0 Apache-2.0 7 0 0 Updated Aug 30, 2024
  • dftd4 Public Forked from dftd4/dftd4

    Generally Applicable Atomic-Charge Dependent London Dispersion Correction

    molpro/dftd4’s past year of commit activity
    Fortran 0 LGPL-3.0 45 0 0 Updated Aug 30, 2024
  • pymolpro Public

    Python utilities for Molpro

    molpro/pymolpro’s past year of commit activity
    Python 7 MIT 7 5 0 Updated Aug 29, 2024
  • iterative-solver Public
    molpro/iterative-solver’s past year of commit activity
    C++ 0 MIT 2 20 2 Updated Jul 22, 2024
  • utilities Public

    Utilities library

    molpro/utilities’s past year of commit activity
    C++ 0 0 0 0 Updated Jun 22, 2024
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