Anonymous @ on
Error while running the potential fitting algorithm
Hi Yunxing,
Thank you for a nice talk.
I am new in the field and going through your tutorial. When trying to rerun the potential_fittign in my local machine for Mo, I ran into following error.
describer = BispectrumCoefficients(cutoff=4.6, twojmax=6, element_profile=element_profile, quadratic=False, pot_fit=True, include_stress=False )
TypeError: __init__() missing 1 required positional argument: 'rcutfac'
Would it be possible to comment on what's the error means and suggest way to solve it, please.
Thank you.
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Anonymous @ on
"cutoff" should be replaced with rcutfac in the following command.
describer = BispectrumCoefficients(cutoff=4.6..
so that it reads as
describer = BispectrumCoefficients(rcutfac=4.6..
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