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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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set_param(XC_RANGESEP_MU) #73

Open sunqm opened 6 years ago

sunqm commented 6 years ago

I noticed the range-separated parameter mu=0.4 is hard coded in common_parameters.cpp. This parameter is often set to 0.33 in CAM-B3LYP. Is there any way to modify mu at the runtime?

bast commented 6 years ago

Thanks for the question - it is not forgotten. I will have a look in the code and come back ASAP.

bast commented 4 years ago

I looked at it finally, after years (apologies). I am unsure whether this can be set at runtime.