Suggestions regarding GAMESS extension

Feature Requests item #2883170, was opened at 2009-10-21 14:45
Message generated for change (Tracker Item Submitted) made by asiiskon
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Category: Commands / Extensions
Group: None
Status: Open
Resolution: None
Priority: 5
Private: No
Submitted By: Antti Siiskonen (asiiskon)
Assigned to: Nobody/Anonymous (nobody)
Summary: Suggestions regarding GAMESS extension

Initial Comment:
First of all, great program! However, I have a few suggestions regarding the GAMESS extension.

  1. It would be practical if “Gamess -> Input Generator -> Generate” remembered the directory where you saved the .inp file last time. At the moment it always points to some default directory.
  2. It would be nice to have an option to save your own default settings in “Input Generator”.
  3. “SCF” in “Advanced Setup” could have an option on whether to use DIIS or SOSCF. This can of course be easily typed in but I’m a fan of GUIs and clicking boxes :slight_smile:
  4. Unless I just haven’t noticed it, there is no option to choose correlation consistent Dunning sets (GBASIS=CCD, CCT etc) or Jensen polarization consistent basis sets (GBASIS=PC0, PC1 etc).

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