this is for holding javascript data
David Koes Deleted File
about 8 years ago
Commit id: 67acb9534068aaf7c4f27e9a9adbf8548152a39c
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QMtool is a graphical user interface for quantum chemical simulations. Currently only Gaussian is supported but future versions will also support GAMESS. Many different kinds of QM simulations such as geometry optimizations and frequency calculations specify solvents and more can be carried out with QMtool. The output QM logfiles can be analyzed via for example plotting energies or the IR spectrum.
