Jorge Luis Gálvez Vallejo's repositories
HFSzaboOstlund
Hartree-Fock program as showed by Szabo and Ostlund in Modern Quantum Chemistry
roofline_plot
Simple Roofline Plotting
gpu_blas_performance
Tool to test dgemm performance using GPU blas libraries
Clebsch-Gordan
Simple program to calculate the Clebsch-Gordan coefficients
guess_basis_and_stuff
A C++ and HDF5 based basis set reader, guess reader and json parser for them
jorgeg94.github.io
https://jorgeg94.github.io/
cif2json
Make an exess input file (json) from a cif file.
fortran_unit_test
Minimalistic fortran unit tests using CMake and CTest
json
JSON for Modern C++
OpenFMO
GPU-acclelerated OpenFMO source code, including RHF-skeleton program (Released Version 1.0)
matmuljorge
Kaihan's coding journey
Playground
Programs written in c++ as part of learning the language
printf_bug
A small reproducible for the printf bug using hipcc
QUICK
QUICK: A GPU-enabled ab intio quantum chemistry software package
rtatblas
Run-time auto tuning framework for BLAS routines
sample_fortran_cmake
A very simple cmake project using forrtan
SI_endothermic_thesis
XYZ coordinates for the HPW endothermic fuels catalysis project
SI_hgp
XYZ coordinates of test systems
styles
Official repository for Citation Style Language (CSL) citation styles.
supporting_info_jctc
Contains inputs and geometries for paper
ternaryplot
Ternary plot generator based on matplotlib and the ternary library
useful_tools
Useful tool I have had to write
wxmacmolplt
wxMacMolPlt is a graphical user interface principally for the GAMESS program