Fix B3LYP functional, which is supposed to use VWN(RPA) not VWN5.#168
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susilehtola wants to merge 1 commit intodftlibs:masterfrom
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Fix B3LYP functional, which is supposed to use VWN(RPA) not VWN5.#168susilehtola wants to merge 1 commit intodftlibs:masterfrom
susilehtola wants to merge 1 commit intodftlibs:masterfrom
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I found this now in my emails. Sorry for the long wait ... |
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Description
Fixes B3LYP. Closes #167
Motivation and Context
B3LYP should be B3LYP, not B3LYP5.
How Has This Been Tested?
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