tschijnmo

drudge

CAS based on sympy focusing on tensor and noncommutative algebras

gristmill

Optimizing code generator based on drudge

libcanon

A C++ library for canonicalizing combinatorial objects with lightening speed

programmabletuple

A programmable tuple metaclass for Python 3. It adds programmability to named tuple and adds immutability to user-defined class

cpypp

A simple wrapper of CPython C API for C++

libparenth

Fast searching for optimal parenthesization of tensor contractions

.tmux

Oh My Tmux! My pretty + versatile tmux configuration that just works (imho the best tmux configuration)

docker-drudgedevel

Docker image for drudge development

docker-gccpython

Docker image with cutting-edge GCC and Python 3

docker-react

drudge-docker

Docker image building for the entire drudge stack

DummyRDD

A pure python mock of pyspark's RDD

evolpac

Evolutionary optimization of pac-Mites

fbitset

A highly optimized and tunable C++ bitset library

FFOMP

Flexible fitting of model parameters

interpPES

Interpolate between stationary points on the potential energy surface

KineticsToolkit

Extensible and flexible toolkit for theoretical chemical kinetics

lammps

Public/backup repository of the LAMMPS MD software package

lammps_scripts

Some utility scripts for working with LAMMPS

media-indexer

A simple static website generator to index videos/photos

mruby

Lightweight Ruby

MyRSSFeeds

My RSS feeds, mostly on science

paramsensit

Testing the sensitivity of simulation parameters on the result

PESScan

A python script for generating configurations in simple potential energy surface scans

phalanx

A simple parallel processing library based on MPI emulating Apache Spark

pybind11

Seamless operability between C++11 and Python

pyquante2

Python Quantum Chemistry Reloaded. This is a rewrite of the standard PyQuante program to clean up things that have been nagging me.

spark-in-slurm

Utility script to start stand-alone Spark cluster inside SLURM jobs

sympy

A computer algebra system written in pure Python

vimrc

A minimalist vim configuration