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'Create MOPAC input' is implemented
[molby/Molby.git] / Scripts / gamess.rb
2013-11-09 toshinagata1964'Create MOPAC input' is implemented blob | commitdiff
2013-11-01 toshinagata1964MOPAC 6.06 is included in the binary blob | commitdiff | diff to current
2013-06-29 toshinagata1964A progress indicator (and stop button) for subprocesses... blob | commitdiff | diff to current
2013-06-17 toshinagata1964During GAMESS optimization, avoid displaying the same... blob | commitdiff | diff to current
2013-06-15 toshinagata1964Antechamber command is made more visible (e.g. when... blob | commitdiff | diff to current
2013-06-14 toshinagata1964Local execution of GAMESS is implemented blob | commitdiff | diff to current
2013-06-11 toshinagata1964On creating PM3 input for GAMESS, NGAUSS=3 is also... blob | commitdiff | diff to current
2013-01-21 toshinagata1964GAMESS log containing F and G type orbitals can now... blob | commitdiff | diff to current
2012-12-20 toshinagata1964export_gamess is modified so that arbitrary keyword... blob | commitdiff | diff to current
2012-11-22 toshinagata1964Handling of GAMESS basis set is modified. The 'external... blob | commitdiff | diff to current
2012-11-02 toshinagata1964Suppress output of pi-anchors when generating GAMESS... blob | commitdiff | diff to current
2010-05-06 toshinagata1964generation of internal coordinates (NZVAR=#{3n-5})... blob | commitdiff | diff to current
2010-03-20 toshinagata1964Some features of Dialog class are modified; Dialog... blob | commitdiff | diff to current
2010-03-13 toshinagata1964DialogItem class is implemented; Dialog#item and Dialog... blob | commitdiff | diff to current
2010-03-09 toshinagata1964The class RubyDialog is renamed to Dialog. All Molby... blob | commitdiff | diff to current
2010-02-28 toshinagata1964The DISPATOM parameters are renamed to ELEMENT, to... blob | commitdiff | diff to current
2010-02-24 toshinagata1964Parameter#bond, angle, etc. are no longer implemented... blob | commitdiff | diff to current
2010-01-21 toshinagata1964initial import blob | commitdiff | diff to current
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