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Fix B3LYP functional, which is supposed to use VWN(RPA) not VWN5. #168

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Description

Fixes B3LYP. Closes #167

Motivation and Context

B3LYP should be B3LYP, not B3LYP5.

How Has This Been Tested?

Screenshots (if appropriate):

Todos

  • Developer Interest
  • Feature1
  • User-Facing for Release Notes
  • Feature2

Types of changes

  • Bug fix (non-breaking change which fixes an issue)
  • New feature (non-breaking change which adds functionality)
  • Breaking change (fix or feature that would cause existing functionality to change)

Questions

  • Question1

Status

  • Ready to go

@bast
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bast commented Nov 30, 2022

I found this now in my emails. Sorry for the long wait ...
... looking and thinking. Mostly about backwards compatibility.

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B3LYP is wrong
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