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@CisnerosResearch

Cisneros Research Group

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  1. LICHEM LICHEM Public

    This package is an open-source (GPLv3) interface between QM and MM software so that QM/MM calculations can be performed with polarizable and frozen electron density force fields. Functionality is a…

    C++ 13 11

  2. AMBER-EDA AMBER-EDA Public

    A program for energy decomposition analysis of AMBER MD simulations.

    Fortran 4 2

  3. GEM_fit GEM_fit Public

    Program to calculate GEM Hermites and multipoles with either a numerical or analytical fit from a Gaussian formatted checkpoint file.

    Fortran 1 4

  4. cisnerosresearch.github.io cisnerosresearch.github.io Public

    Redirect for the group documentation

    HTML

  5. docs docs Public

    Documentation/Tutorials for the Cisneros Research Group.

    CSS

  6. Tinker-HP Tinker-HP Public

    GEM implementation in Tinker-HP

    Roff 1

Repositories

Showing 7 of 7 repositories
  • LICHEM Public

    This package is an open-source (GPLv3) interface between QM and MM software so that QM/MM calculations can be performed with polarizable and frozen electron density force fields. Functionality is also present for standard point-charge based force fields, pure MM, and pure QM calculations.

    CisnerosResearch/LICHEM’s past year of commit activity
    C++ 13 11 0 0 Updated Aug 20, 2024
  • Tinker-HP Public

    GEM implementation in Tinker-HP

    CisnerosResearch/Tinker-HP’s past year of commit activity
    Roff 0 1 0 1 Updated Aug 8, 2024
  • Psi4 Public

    GEM implementation in Psi4

    CisnerosResearch/Psi4’s past year of commit activity
    Makefile 0 LGPL-3.0 0 0 0 Updated Jan 27, 2024
  • GEM_fit Public

    Program to calculate GEM Hermites and multipoles with either a numerical or analytical fit from a Gaussian formatted checkpoint file.

    CisnerosResearch/GEM_fit’s past year of commit activity
    Fortran 1 GPL-3.0 4 0 0 Updated Feb 28, 2022
  • docs Public

    Documentation/Tutorials for the Cisneros Research Group.

    CisnerosResearch/docs’s past year of commit activity
    CSS 0 0 0 0 Updated Jan 11, 2022
  • AMBER-EDA Public

    A program for energy decomposition analysis of AMBER MD simulations.

    CisnerosResearch/AMBER-EDA’s past year of commit activity
    Fortran 4 GPL-3.0 2 0 0 Updated Nov 5, 2021
  • cisnerosresearch.github.io Public

    Redirect for the group documentation

    CisnerosResearch/cisnerosresearch.github.io’s past year of commit activity
    HTML 0 0 0 0 Updated Oct 14, 2021

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