JorgeG94
Research Fellow @ Australian National University Ph.D. Iowa State University. High Performance Quantum Chemistry
@gms-bbg Canberra, Australia
Pinned Repositories
aaa
cif2json
Make an exess input file (json) from a cif file.
Clebsch-Gordan
Simple program to calculate the Clebsch-Gordan coefficients
example_mpich
fortran-legacy-tools
Three tools to deal with Fortran code: fixed to free source form converter, upper- to lowercase converter, formatter for variable declarations
gpu_blas_performance
Tool to test dgemm performance using GPU blas libraries
guess_basis_and_stuff
A C++ and HDF5 based basis set reader, guess reader and json parser for them
HFSzaboOstlund
Hartree-Fock program as showed by Szabo and Ostlund in Modern Quantum Chemistry
jorgeg94.github.io
https://jorgeg94.github.io/
roofline_plot
Simple Roofline Plotting
JorgeG94's Repositories
JorgeG94/HFSzaboOstlund
Hartree-Fock program as showed by Szabo and Ostlund in Modern Quantum Chemistry
JorgeG94/roofline_plot
Simple Roofline Plotting
JorgeG94/gpu_blas_performance
Tool to test dgemm performance using GPU blas libraries
JorgeG94/Clebsch-Gordan
Simple program to calculate the Clebsch-Gordan coefficients
JorgeG94/guess_basis_and_stuff
A C++ and HDF5 based basis set reader, guess reader and json parser for them
JorgeG94/jorgeg94.github.io
https://jorgeg94.github.io/
JorgeG94/aaa
JorgeG94/cif2json
Make an exess input file (json) from a cif file.
JorgeG94/example_mpich
JorgeG94/fortran-legacy-tools
Three tools to deal with Fortran code: fixed to free source form converter, upper- to lowercase converter, formatter for variable declarations
JorgeG94/fortran_unit_test
Minimalistic fortran unit tests using CMake and CTest
JorgeG94/jorge-docs
JorgeG94/OpenFMO
GPU-acclelerated OpenFMO source code, including RHF-skeleton program (Released Version 1.0)
JorgeG94/how_to_gpu
JorgeG94/libcint
general GTO integrals for quantum chemistry
JorgeG94/parley_exess
A simple python script that will transform xyz to exess json input format and viceversa
JorgeG94/printf_bug
A small reproducible for the printf bug using hipcc
JorgeG94/QUICK
QUICK: A GPU-enabled ab intio quantum chemistry software package
JorgeG94/rtatblas
Run-time auto tuning framework for BLAS routines
JorgeG94/sample_fortran_cmake
A very simple cmake project using forrtan
JorgeG94/SI_endothermic_thesis
XYZ coordinates for the HPW endothermic fuels catalysis project
JorgeG94/SI_hgp
XYZ coordinates of test systems
JorgeG94/styles
Official repository for Citation Style Language (CSL) citation styles.
JorgeG94/supporting_info_jctc
Contains inputs and geometries for paper
JorgeG94/ternaryplot
Ternary plot generator based on matplotlib and the ternary library
JorgeG94/useful_tools
Useful tool I have had to write
JorgeG94/wxmacmolplt
wxMacMolPlt is a graphical user interface principally for the GAMESS program