This is an old repository that will be deprecated. Please use the IQmol3
repo.
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
Platform dependent install instructions can be found in the doc directory.