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.
- 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.
- It would be nice to have an option to save your own default settings in “Input Generator”.
- “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
- 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).
You can respond by visiting:
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