GitHub - jlane-waikato/IQmol: IQmol is an open source molecular editor and visualization package

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Name		Name	Last commit message	Last commit date
Latest commit History 262 Commits
cmake		cmake
doc		doc
samples		samples
share		share
src		src
.gitignore		.gitignore
CMakeLists.txt		CMakeLists.txt
LICENSE		LICENSE
README		README
configure		configure
installer_config.xml		installer_config.xml
installer_config_linux.xml		installer_config_linux.xml
installer_config_windows.xml		installer_config_windows.xml

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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

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