Geometry extraction with "baked" log files

mattbernst / polyhartree

Tools to automate routine computational chemistry

GNU General Public License v3.0

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Geometry extraction with "baked" log files #4

Closed mattbernst closed 9 years ago

mattbernst commented 9 years ago

Check in some log files to the test data and confirm geometry extraction from them. Examples should be available as documentation even for systems that don't have all back ends installed.

mattbernst commented 9 years ago

Done.