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uf3.forcefield.calculator.regenerate_coefficients
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uf3.forcefield.calculator.regenerate_coefficients
¶
regenerate_coefficients
(
x
:
numpy.ndarray
,
y
:
numpy.ndarray
,
knot_sequence
:
numpy.ndarray
,
dy
:
Optional
[
numpy.ndarray
]
=
None
)
→
numpy.ndarray
[source]
¶
legacy function for regenerating coefficients from LAMMPS table.