J. Emiliano Deustua's repositories
wickedtree
A simple implementation of Wick's theorem using binary trees.
CMS-Python-DevOps
Python Module Development
dotfiles
My dotfiles for Linux/Unix systems.
hande
Open source stochastic quantum chemistry
HFSzaboOstlund
Hartree-Fock program as showed by Szabo and Ostlund in Modern Quantum Chemistry
pfedu
A submission and visualization platform for CEM484 at MSU.
libecpint
A C++ library for the efficient evaluation of integrals over effective core potentials.
msfdevops
Example repository for MSF bootcamp devops
oop_design_pattern
This is a nice lecture on OOP design patterns
psi4
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
Quantum-Chemistry
Collection of codes used for quantum chemistry calculations, including Hartree-Fock, Coupled Cluster (CCSD), EOMCC, and other various things
quantum_espresso_conda
Quantum espresso conda recipes and build guide
scientific_make
A tutorial on how to use make to drive scientific computations
SEC
Package can be used to classify and characterize solvation environments based on all-atom MD simulations.
slurmify
submit jobs to slurm with quick-and-dirty python
wepy
Weighted Ensemble simulation framework in Python (Mirror of main private development repo. After the main release the development of the project will become public.)