MolecularGrid¶
- class psi4.core.MolecularGrid¶
Bases:
pybind11_object
docstring
Methods Summary
atomic_blocks
(self)Returns a list of blocks.
blocks
(self)Returns a list of blocks.
collocation_size
(self)Returns the total collocation size of all blocks.
max_functions
(self)Returns the maximum number of functions in a block.
max_points
(self)Returns the maximum number of points in a block.
npoints
(self)Returns the number of grid points.
orientation
(self)Returns the orientation of the grid.
print
(self, arg0, arg1)Prints grid information.
Methods Documentation
- atomic_blocks(self: psi4.core.MolecularGrid) List[List[psi4.core.BlockOPoints]] ¶
Returns a list of blocks.
- blocks(self: psi4.core.MolecularGrid) List[psi4.core.BlockOPoints] ¶
Returns a list of blocks.
- collocation_size(self: psi4.core.MolecularGrid) int ¶
Returns the total collocation size of all 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.