cstein/qfitlib
QFITLIB: A library to do multipole fitting in quantum chemistry codes
My dotfiles for ubuntu 12.04 and various tools
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QFITLIB: A library to do multipole fitting in quantum chemistry codes
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.
GUI for analyzing FMO interaction energies.
Useful (homemade) scripts for Dalton