Re: [Open Babel] issues reading recent gamess output for charge

2019-11-04 Thread Bennion, Brian via OpenBabel-discuss
for this value. Brian From: Geoffrey Hutchison Sent: Monday, November 4, 2019 1:11:02 PM To: Bennion, Brian Cc: openbabel-discuss@lists.sourceforge.net Subject: Re: [Open Babel] issues reading recent gamess output for charge However, a collaborator sent us source

Re: [Open Babel] issues reading recent gamess output for charge

2019-11-04 Thread Geoffrey Hutchison
> However, a collaborator sent us source code that for some version of obabel > that actually reads the output Patches are always welcome. :-) > The issue at this point is that it fails to read the charge data of the > molecule correctly IF the log file contains hessian data where there are >