IQmol version 3
This is IQmol, a molecular builder and visualization package written by Andrew Gilbert. IQmol is able to build molecules, set up and submit input for Q-Chem calculations, and analyse the output. Analyses include display of molecular surfaces (densites, molecular orbitals) and animations of frequencies and reaction pathways. A user guide can be found in the doc directory.
For an up-to-date list of features and pre-compiled binaries, please visit the website: http://iqmol.org
This is a rebase of the original code that migrates to CMake and updates several of the external libraries, including them as submodules in an attempt to ease the build process.
The source relies on submodules, so to checkout the code use the recursive flag:
git clone --recursive https://github.com/nutjunkie/IQmol3.git