Hiya, On Thu, Jun 20, 2013 at 4:53 AM, Maciek Wójcikowski <mac...@wojcikowski.pl> wrote: > Sure, the more the better :) I mentioned simplex since Tripos Sybyl is using > it, and my colleague and I use it for some purposes. > > Did you mean this? https://github.com/dlonie/OpenBabel-BFGS/ It seams that > the implementation is more or less done. I'll test that and see if it works.
That was part of a project I was working on with some undergraduates who were learning to code, but they got pulled off in another direction before we could make much progress. I haven't looked at that branch in ages, but IIRC it was still failing pretty basic tests. Might be useful as a starting point to someone interested in finishing it, but I doubt it'd be much use as-is. Dave ------------------------------------------------------------------------------ This SF.net email is sponsored by Windows: Build for Windows Store. http://p.sf.net/sfu/windows-dev2dev _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
