Resgrp:comp-photo
Computational Photochemistry Research Group Wiki, Imperial College London
A place to write something about computing facilities (e.g. CX1), documenting codes (Gaussian + dynamics; latest versions) and example input files. -Mjbear 16:16, 17 October 2008 (BST)
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Computing Resources
Using College HPC to run Gaussian: CX1
Utilities
Codes
Gaussian versions
- known problems
Developing Gaussian
There's a new regime!
Local development versions
A page explaining what is in the local development repository. Currently rather sparse, you are encouraged to be much more verbose.
Using Mercurial
A rather long manual on why and how to use the mercurial version control system, somewhat tailored to Gaussian development.
Quick guide to Mercurial
A short version of the above.
Example workflows
A couple of examples of how one would use mercurial to develop Gaussian
The new layout
An explanation of the new layout of the Gaussian source code necessitated by version control. Plus some tips and tricks.