PointFunctions

class psi4.core.PointFunctions

Bases: psi4.core.BasisFunctions

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Methods Summary

ansatz(self) docstring
compute_points(self, block, force_compute) docstring
orbital_values(self) docstring
point_values(self) docstring
print_out(self, out_fname, print) docstring
set_ansatz(self, arg0) docstring
set_pointers(*args, **kwargs) Overloaded function.

Methods Documentation

ansatz(self: psi4.core.PointFunctions) → int

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compute_points(self: psi4.core.PointFunctions, block: psi::BlockOPoints, force_compute: bool = True) → None

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orbital_values(self: psi4.core.PointFunctions) → Dict[str, psi4.core.Matrix]

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point_values(self: psi4.core.PointFunctions) → Dict[str, psi4.core.Vector]

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print_out(self: psi4.core.PointFunctions, out_fname: str = 'outfile', print: int = 2) → None

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set_ansatz(self: psi4.core.PointFunctions, arg0: int) → None

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set_pointers(*args, **kwargs)

Overloaded function.

  1. set_pointers(self: psi4.core.PointFunctions, arg0: psi4.core.Matrix) -> None

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  1. set_pointers(self: psi4.core.PointFunctions, arg0: psi4.core.Matrix, arg1: psi4.core.Matrix) -> None

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ansatz(self: psi4.core.PointFunctions) → int

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basis_values(self: psi4.core.BasisFunctions) → Dict[str, psi4.core.Matrix]

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compute_functions(self: psi4.core.BasisFunctions, arg0: psi::BlockOPoints) → None

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compute_points(self: psi4.core.PointFunctions, block: psi::BlockOPoints, force_compute: bool = True) → None

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deriv(self: psi4.core.BasisFunctions) → int

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max_functions(self: psi4.core.BasisFunctions) → int

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max_points(self: psi4.core.BasisFunctions) → int

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orbital_values(self: psi4.core.PointFunctions) → Dict[str, psi4.core.Matrix]

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point_values(self: psi4.core.PointFunctions) → Dict[str, psi4.core.Vector]

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print_out(self: psi4.core.PointFunctions, out_fname: str = 'outfile', print: int = 2) → None

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set_ansatz(self: psi4.core.PointFunctions, arg0: int) → None

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set_deriv(self: psi4.core.BasisFunctions, arg0: int) → None

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set_pointers(*args, **kwargs)

Overloaded function.

  1. set_pointers(self: psi4.core.PointFunctions, arg0: psi4.core.Matrix) -> None

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  1. set_pointers(self: psi4.core.PointFunctions, arg0: psi4.core.Matrix, arg1: psi4.core.Matrix) -> None

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