cstein/qfitlib
QFITLIB: A library to do multipole fitting in quantum chemistry codes
Developer Profile
cstein
Discovered public repositories for cstein in the GitHub catalog.
cstein/mblib
This general many-body library enables you to calculate the energy (and energy derived properties) to any order when you interface it properly to a quantum chemistry code.
cstein/fmo-ie-analyzer
GUI for analyzing FMO interaction energies.
cstein/dalton-scripts
Useful (homemade) scripts for Dalton
cstein/dotfiles
My dotfiles for ubuntu 12.04 and various tools
cstein/mpi_examples
Examples of MPI
cstein/chemtools
tools for chemistry
cstein/molecularrotations
A tiny framework for rotations
cstein/blogsamples
code samples from the blog