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Zmat
zmat_functions
Redundant Internal Coordinates (RICs)
chemcoord.RedundantInternalCoordinates
chemcoord.DeltaRedundantInternalCoordinates
RIC functions
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ChemCoord
Documentation
Internal coordinates
chemcoord.DeltaRedundantInternalCoordinates
chemcoord.DeltaRedundantInternalCoordinates.delta_q
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chemcoord.DeltaRedundantInternalCoordinates.delta_q
DeltaRedundantInternalCoordinates.
delta_q
:
ndarray
[
tuple
[
int
]
,
dtype
[
float64
]
]