From: Daniel R. H. <ars...@gm...> - 2014-03-12 16:41:43
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Congratulations on the new release v1.2. I'm a GAMESS-US user and have created+tested a few feature changes in CCLIB that may be generally useful in the master code base. They are: -- comprehensive interconversion of cm-1, eV, Hartrees, kCal, and kJ reason: I wanted more conversions and at higher precision. -- extraction of ZPE, vibrational thermal correction, and total entropy terms from GAMESS-US files reason: I require these in research. -- fix *etoscs* parse to ignore GAMESS-US informational warning. reason: bad parse crashes the interpreter. How do I put these changes where you might examine them? Despite having done system software for a couple decades, I am temporarily ignorant of how to use Github, but do not require hand-holding. Thanks. |