From: Martin Blood-F. <mbl...@ph...> - 2014-08-12 21:28:21
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Hi cclib developers, I'm interested in contributing towards the efforts to get Q-Chem and ORCA parsers supported in cclib. I'd be happy to contribute unit test output files for ORCA 2.9.1, 3.0.1, 3.0.2, and Q-Chem 4.1.2. I have some experience with writing python parsers for both the text-based and binary output files from both ORCA and Q-Chem, so I'm happy to help in any way I can. Best wishes, -Martin --------------------------------------------------- Martin Blood-Forsythe Graduate Student in Physics Harvard University |