[OpenBabel-Devel] [ openbabel-Bugs-3431239 ] Segmentation Fault FP4

2011-10-31 Thread SourceForge . net
Bugs item #3431239, was opened at 2011-10-31 16:39 Message generated for change (Tracker Item Submitted) made by jantaubert You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=428740&aid=3431239&group_id=40728 Please note that this message will contain a full copy of th

Re: [OpenBabel-Devel] ImplicitH failures

2011-10-31 Thread Geoff Hutchison
On Oct 11, 2010, at 4:18 PM, Chris Morley wrote: > A simpler and more obvious model for this purpose has essentially a single > IMPVAL for each charge state of the molecule. (Only if you are interested in > radicals or hydrogen on the higher valency states of second row elements do > you need