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Achievements

Achievement: Pair Extraordinairex3Achievement: Pull Sharkx3Achievement: QuickdrawAchievement: YOLOAchievement: Arctic Code Vault Contributor

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  • rtatblas Public

    Forked from csnowdon2/rtatblas

    Run-time auto tuning framework for BLAS routines

    C++ MIT License Updated Sep 6, 2024

  • fortran-legacy-tools Public

    Forked from ylikx/fortran-legacy-tools

    Three tools to deal with Fortran code: fixed to free source form converter, upper- to lowercase converter, formatter for variable declarations

    Python GNU General Public License v3.0 Updated Aug 21, 2024

  • libcint Public

    Forked from sunqm/libcint

    general GTO integrals for quantum chemistry

    C Apache License 2.0 Updated Aug 7, 2024

  • sample_fortran_cmake Public

    A very simple cmake project using forrtan

    Fortran MIT License Updated Aug 7, 2024

  • parley_exess Public

    A simple python script that will transform xyz to exess json input format and viceversa

    Python MIT License Updated Jul 31, 2024

  • Clebsch-Gordan Public

    Simple program to calculate the Clebsch-Gordan coefficients

    Fortran 1 1 GNU General Public License v3.0 Updated Jul 18, 2024

  • aaa Public

    MIT License Updated Jul 1, 2024

  • how_to_gpu Public

    Cuda Updated Jun 27, 2024

  • QUICK Public

    Forked from merzlab/QUICK

    QUICK: A GPU-enabled ab intio quantum chemistry software package

    C Mozilla Public License 2.0 Updated Jun 13, 2024

  • jorge-docs Public

    Python Updated May 1, 2024

  • gpu_blas_performance Public

    Tool to test dgemm performance using GPU blas libraries

    C++ 2 Updated Apr 29, 2024

  • fortran_unit_test Public

    Forked from dryman/fortran_unit_test

    Minimalistic fortran unit tests using CMake and CTest

    CMake MIT License Updated Apr 17, 2024

  • cif2json Public

    Forked from zoeseeger/cif2json

    Make an exess input file (json) from a cif file.

    Python MIT License Updated Apr 12, 2024

  • libdlfind Public

    Forked from digital-chemistry-laboratory/libdlfind

    libdlfind is a C-API and Python interface to the DL-FIND geometry optimization library

    Fortran GNU Lesser General Public License v3.0 Updated Apr 6, 2024

  • wxmacmolplt Public

    Forked from brettbode/wxmacmolplt

    wxMacMolPlt is a graphical user interface principally for the GAMESS program

    C++ Other Updated Jan 3, 2024

  • example_mpich Public

    CMake Updated Aug 14, 2023

  • styles Public

    Forked from citation-style-language/styles

    Official repository for Citation Style Language (CSL) citation styles.

    Ruby Updated Mar 12, 2023

  • HFSzaboOstlund Public

    Hartree-Fock program as showed by Szabo and Ostlund in Modern Quantum Chemistry

    chemistry quantum-chemistry ab hartree-fock initio szabo ostlund
    Fortran 7 1 GNU General Public License v3.0 Updated Feb 25, 2023

  • SI_endothermic_thesis Public

    XYZ coordinates for the HPW endothermic fuels catalysis project

    Updated Jul 6, 2022

  • SI_hgp Public

    XYZ coordinates of test systems

    MIT License Updated Jun 28, 2022

  • OpenFMO Public

    Forked from OpenFMO/OpenFMO

    GPU-acclelerated OpenFMO source code, including RHF-skeleton program (Released Version 1.0)

    C MIT License Updated Mar 31, 2022

  • guess_basis_and_stuff Public

    A C++ and HDF5 based basis set reader, guess reader and json parser for them

    Julia 1 MIT License Updated Jan 11, 2022

  • printf_bug Public

    A small reproducible for the printf bug using hipcc

    C++ Updated Nov 5, 2021

  • supporting_info_jctc Public

    Contains inputs and geometries for paper

    Shell MIT License Updated Sep 8, 2021

  • jorgeg94.github.io Public

    https://jorgeg94.github.io/

    Ruby 1 Updated Sep 7, 2021

  • useful_tools Public

    Useful tool I have had to write

    Gnuplot MIT License Updated Aug 7, 2021

  • roofline_plot Public

    Simple Roofline Plotting

    Python 3 2 BSD 3-Clause "New" or "Revised" License Updated Jul 6, 2021

  • ternaryplot Public

    Ternary plot generator based on matplotlib and the ternary library

    Python Updated Nov 4, 2018