GAMESS

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Oliver Stueker edited this page May 5, 2015 · 2 revisions

 * **Homepage:** http://www.msg.ameslab.gov/GAMESS/GAMESS.html
 * **Contact:** TBC

Datafiles structure

 * [[GAMESS.inp]]
 * [[GAMESS.punch]]
 * [[GAMESS.log]]

Example files

 * [[Pablo_Echenique's_dataset]]
 * [[http://www.oci.uzh.ch/group.pages/baldridge/efiles/UZH_GC3_M06_O3ADD6.tgz|Mark Monroe's dataset]]

Existing parsers

 * good support in [[http://cclib.sourceforge.net|cclib]] (Python)
 * good support in [[http://openbabel.org/|OpenBabel]] (C++)