matt-chan Goto Github PK

799

arduinocore-samd

az-hop

The Azure HPC On-Demand Platform provides an HPC Cluster Ready solution

azure-docs

Open source documentation of Microsoft Azure

buildbot

Python-based continuous integration testing framework; your pull requests are more than welcome!

cmake

Mirror of CMake upstream repository

conda-forge-pinning-feedstock

A conda-smithy repository for conda-forge-pinning.

cpputil

A C++ library that includes utility functions that do not belong in our other, more specific, libraries.

cython

The most widely used Python to C compiler

dask-examples

Collection of dask example notebooks

flare

An open-source Python package for creating fast and accurate interatomic potentials.

git-practice

A repository for students to practice using Git/Github

github-pages-with-jekyll

gqcp

The Ghent Quantum Chemistry Package for electronic structure calculations

hoodle

hoodle : A pen notetaking program written in haskell

horton

HORTON: Helpful Open-source Research TOol for N-fermion systems

horton-feedstock

A conda-smithy repository for horton.

libcint

general GTO integrals for quantum chemistry

libra-code

matt-chan.github.io

Tech blog

nlcglib

Nonlinear CG methods for wave-function optimization in DFT

numopt

A C++ library for performing numerical optimization.

psi4

Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python

pybind11

Seamless operability between C++11 and Python

pycma

Python implementation of CMA-ES

pyscf

Python module for quantum chemistry

pyscf-feedstock

A conda-smithy repository for pyscf.

python-cookiecutter

cookiecutter template for a minimal python project with conda and travis

python-cython-ci-example

Demo project for building and deploying Python packages

q-e-sirius

SIRIUS-enabled Quantum ESPRESSO