psi4.core.GaussianShell¶
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class
psi4.core.GaussianShell¶ Bases:
objectdocstring
Attributes Summary
AMCHARdocstring amdocstring amchardocstring function_indexBasis function index where this shell starts. ncartesiandocstring ncenterdocstring nfunctiondocstring nprimitivedocstring Methods Summary
coef((self: psi4.core.GaussianShell, ...)docstring erd_coef((self: psi4.core.GaussianShell, ...)docstring exp((self: psi4.core.GaussianShell, ...)Returns the exponent of the given primitive is_cartesian(...)docstring is_pure((self: psi4.core.GaussianShell) -> bool)docstring original_coef(...)docstring Attributes Documentation
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AMCHAR¶ docstring
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am¶ docstring
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amchar¶ docstring
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function_index¶ Basis function index where this shell starts.
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ncartesian¶ docstring
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ncenter¶ docstring
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nfunction¶ docstring
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nprimitive¶ docstring
Methods Documentation
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coef(self: psi4.core.GaussianShell, arg0: int) → float¶ docstring
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erd_coef(self: psi4.core.GaussianShell, arg0: int) → float¶ docstring
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exp(self: psi4.core.GaussianShell, arg0: int) → float¶ Returns the exponent of the given primitive
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is_cartesian(self: psi4.core.GaussianShell) → bool¶ docstring
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is_pure(self: psi4.core.GaussianShell) → bool¶ docstring
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original_coef(self: psi4.core.GaussianShell, arg0: int) → float¶ docstring
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AMCHAR docstring
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am docstring
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amchar docstring
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coef(self: psi4.core.GaussianShell, arg0: int) → float docstring
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erd_coef(self: psi4.core.GaussianShell, arg0: int) → float docstring
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exp(self: psi4.core.GaussianShell, arg0: int) → float Returns the exponent of the given primitive
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function_index Basis function index where this shell starts.
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is_cartesian(self: psi4.core.GaussianShell) → bool docstring
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is_pure(self: psi4.core.GaussianShell) → bool docstring
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ncartesian docstring
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ncenter docstring
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nfunction docstring
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nprimitive docstring
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original_coef(self: psi4.core.GaussianShell, arg0: int) → float docstring
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