Tools+of+the+Becklab

=Quantum chemistry programs we routinely use (with links) :=

Ab initio

 * Gaussian09 -- lab and supercomputer center license
 * GAMESS -- opensource
 * Dalton2011 -- registered to Travis only
 * NWChem -- opensource but we only use the default version at OSC
 * Psi4 -- access to beta generously given by David Sherrill to Travis
 * SAPT2012 -- opensource license to Travis; Dr. Beck has license to SAPT2008
 * PyQuante -- opensource used in conjunction with QMC code
 * Spartan/Qchem -- P&G license for Travis; Qchem available on OSC... can be run without asking for a license, but not sure if one is needed to publish?

Quantum Monte Carlo

 * Casino -- Binh's license? Beck's?
 * MontePython -- opensource
 * QMCPack -- opensource
 * Quaemon (something like that) -- opensource, works with Scipy, Numpy, Sympy, and PyQuante

Miscellaneous

 * AIMAll free version
 * Dgrid
 * Henkelman on-grid AIM method
 * Homebrew Python, C, shell scripts, and more!

Classical

 * NAMD
 * Gromacs
 * Tinker