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calum_performance_tool

Tool to test dgemm performance using hipblas

clebsch-gordan

Simple program to calculate the Clebsch-Gordan coefficients

example_mpich

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/

json

JSON for Modern C++

kaihan_coding_journey

Kaihan's coding journey

openfmo

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

playground

Programs written in c++ as part of learning the language

printf_bug

A small reproducible for the printf bug using hipcc

roofline_plot

Simple Roofline Plotting

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