From: <ghu...@us...> - 2008-03-28 22:03:57
|
Revision: 2378 http://openbabel.svn.sourceforge.net/openbabel/?rev=2378&view=rev Author: ghutchis Date: 2008-03-28 15:03:59 -0700 (Fri, 28 Mar 2008) Log Message: ----------- * data/UFF.prm: Improved N sp, sp2 atom typing, suggested by Bob Hanson. * src/forcefields/forcefielduff.*: Many bug fixes for angle and torsion terms, suggested by Bob Hanson (via Jmol implementation). * test/files/uffresults.txt: Updated for above changes. Modified Paths: -------------- openbabel/trunk/ChangeLog openbabel/trunk/data/UFF.prm openbabel/trunk/src/forcefields/forcefielduff.cpp openbabel/trunk/src/forcefields/forcefielduff.h openbabel/trunk/test/files/uffresults.txt This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site. |