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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
57 stars 32 forks source link

Enforce XC_MAX_ORDER=3 at least #29

Closed robertodr closed 6 years ago

robertodr commented 6 years ago

Close issue #28

bast commented 6 years ago

Thanks for the fix!