From: Ramon C. <rc...@iq...> - 2016-05-27 13:15:33
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Dear cclib developers, I've been using cclib as a user for a long time and great sucess. My last use concerned readling BOMD trajectories from Gaussian. Because of the peculiarities of these calculations, cclib does not perform optimally, so I finally wrote my own parser. Is there anybody working on implementing this in cclib? If not, could I contribute with my code? If so, how should I proceed? (Guide for developpers, coding style, tests to prepare, create a github pull request?) All the best, Ramon -- Ramon Crehuet Cientific Titular (Assistant Professor) Institute of Advanced Chemistry of Catalonia IQAC - CSIC http://www.iqac.csic.es/qteor https://twitter.com/rcrehuet http://ramoncrehuet.wordpress.com/ Tel. +34 934006116 Jordi Girona 18-26 08034 Barcelona (Spain) |