MolecularGrid

class psi4.core.MolecularGrid

Bases: object

docstring

Methods Summary

blocks(…) Returns a list of blocks.
max_functions(…) Returns the maximum number of functions in a block.
max_points(…) Returns the maximum number of points in a block.
npoints((self: psi4.core.MolecularGrid) -> int) Returns the number of grid points.
orientation(…) Returns the orientation of the grid.
print((self: psi4.core.MolecularGrid, …) Prints grid information.

Methods Documentation

blocks(self: psi4.core.MolecularGrid) → List[psi4.core.BlockOPoints]

Returns a list of blocks.

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

Returns the maximum number of functions in a block.

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

Returns the maximum number of points in a block.

npoints(self: psi4.core.MolecularGrid) → int

Returns the number of grid points.

orientation(self: psi4.core.MolecularGrid) → psi4.core.Matrix

Returns the orientation of the grid.

print(self: psi4.core.MolecularGrid, arg0: str, arg1: int) → None

Prints grid information.

blocks(self: psi4.core.MolecularGrid) → List[psi4.core.BlockOPoints]

Returns a list of blocks.

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

Returns the maximum number of functions in a block.

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

Returns the maximum number of points in a block.

npoints(self: psi4.core.MolecularGrid) → int

Returns the number of grid points.

orientation(self: psi4.core.MolecularGrid) → psi4.core.Matrix

Returns the orientation of the grid.

print(self: psi4.core.MolecularGrid, arg0: str, arg1: int) → None

Prints grid information.