Skip to content

nutjunkie/IQmol

master
Switch branches/tags

Name already in use

A tag already exists with the provided branch name. Many Git commands accept both tag and branch names, so creating this branch may cause unexpected behavior. Are you sure you want to create this branch?
Code

Latest commit

 

Git stats

Files

Permalink
Failed to load latest commit information.
Type
Name
Latest commit message
Commit time
 
 
doc
 
 
 
 
 
 
 
 
src
 
 
 
 
 
 
 
 
 
 
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.