Input Deck Generators

Feature Requests item #2783682, was opened at 2009-04-29 18:50
Message generated for change (Tracker Item Submitted) made by annulen
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Category: Commands / Extensions
Group: None
Status: Open
Resolution: None
Priority: 5
Private: No
Submitted By: Konstantin Tokarev (annulen)
Assigned to: Nobody/Anonymous (nobody)
Summary: Input Deck Generators

Initial Comment:

From theoretical point of view it’s not quite correct to place semiempirical (e.g., PM3, AM3, …), DFT (B3LYP, PBE, …) and post-HF (MP2, CCSD) methods together. This can mislead quantum chemistry newbies. I think user should realise great difference between these groups of QM methods and consequent difference in accuracy and spheres of application.
I think, single list of method should be divided into groups. This conserns to all input deck generators

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