Skip to content

@CisnerosResearch Cisneros Research Group

Change the repository type filter

All

    Repositories list

    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.
      C++
      •11•13•0•0•Updated Aug 20, 2024Aug 20, 2024

    • Tinker-HP

      Public
      GEM implementation in Tinker-HP
      Roff
      •1•0•0•1•Updated Aug 8, 2024Aug 8, 2024

    • Psi4

      Public
      GEM implementation in Psi4
      Makefile
      •
      GNU Lesser General Public License v3.0
      •0•0•0•0•Updated Jan 27, 2024Jan 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.
      Fortran
      •
      GNU General Public License v3.0
      •4•1•0•0•Updated Feb 28, 2022Feb 28, 2022

    • docs

      Public
      Documentation/Tutorials for the Cisneros Research Group.
      CSS
      •0•0•0•0•Updated Jan 11, 2022Jan 11, 2022

    • AMBER-EDA

      Public
      A program for energy decomposition analysis of AMBER MD simulations.
      Fortran
      •
      GNU General Public License v3.0
      •2•4•0•0•Updated Nov 5, 2021Nov 5, 2021

    • cisnerosresearch.github.io

      Public
      Redirect for the group documentation
      HTML
      •0•0•0•0•Updated Oct 14, 2021Oct 14, 2021