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dftlibs / xcfun

XCFun: A library of exchange-correlation functionals with arbitrary-order derivatives
https://dftlibs.org/xcfun/
Mozilla Public License 2.0
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Order of xc_vars in xcfun.h is not intuitive #45

Closed bast closed 6 years ago

bast commented 6 years ago

For instance XC_N_NX_NY_NZ shows up under meta-GGA.

ilfreddy commented 6 years ago

I think this issue might be merged with the one I created. I assume the comments (LDA/GGA/metaGGA) interspaced in the list are old and should simply be removed. It makes indeed more sense to order them in terms of the number of expected input functions.

bast commented 6 years ago

I will add some more doc there to clarify. PR incoming.