> I just noticed that multipoles higher than dipole are not read in from > Gaussian log files, and neither are ESP points!
These are relatively new data. I added the support (e.g., quadrupoles) in the core library, but not complete implementations. So yes, if you're willing to add support, people will use it. ESP, you probably want to add as an OBGridData type. What I *really* need is to create a wiki table with data types, and file format (particularly QM) support levels. Thanks for the reminder, I'll add that to my task manager. Hope that helps, -Geoff ------------------------------------------------------------------------------ Monitor your physical, virtual and cloud infrastructure from a single web console. Get in-depth insight into apps, servers, databases, vmware, SAP, cloud infrastructure, etc. Download 30-day Free Trial. Pricing starts from $795 for 25 servers or applications! http://p.sf.net/sfu/zoho_dev2dev_nov _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
