Constrained optimisation: Revision history

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29 July 2009

17 January 2008

  • curprev 12:5412:54, 17 January 2008 10.0.7.16 talk 2,685 bytes +2,685 New page: <code><pre> %mem=720MB %chk=prtOpt_1.chk #p opt=(modredundant,maxcycle=50) freq=internalmodes b3lyp/6-31g(d) nosymm 5d partial optimisation 0 1 B -1.23658400 0.378750...