psi4.core.SymmetryOperation¶

class psi4.core.SymmetryOperation¶

Bases: object

Class to provide a 3 by 3 matrix representation of a symmetry operation, such as a rotation or reflection.

Methods Summary

`E`((self: psi4.core.SymmetryOperation) -> None)	Set equal to E
`c2_x`((self: psi4.core.SymmetryOperation) -> None)	Set equal to C2 about the x axis
`c2_y`((self: psi4.core.SymmetryOperation) -> None)	Set equal to C2 about the y axis
`c2_z`((self: psi4.core.SymmetryOperation) -> None)	Set equal to C2 about the z axis
`i`((self: psi4.core.SymmetryOperation) -> None)	Set equal to an inversion
`operate`((self: psi4.core.SymmetryOperation, ...)	Performs the operation arg2 * arg1
`rotate_n`((self: psi4.core.SymmetryOperation, ...)	Set equal to a clockwise rotation by 2pi/n
`rotate_theta`(...)	Set equal to a clockwise rotation by theta
`sigma_xy`(...)	Set equal to reflection in xy plane
`sigma_xz`(...)	Set equal to reflection in xz plane
`sigma_yz`(...)	Set equal to reflection in yz plane
`trace`(...)	Returns trace of transformation matrix
`transform`(...)	Performs the transform arg2 * arg1 * arg2~
`transpose`(...)	Performs transposition of matrix operation
`unit`((self: psi4.core.SymmetryOperation) -> None)	Set equal to a unit matrix
`zero`((self: psi4.core.SymmetryOperation) -> None)	Zero out the symmetry operation

Methods Documentation

c2_x(self: psi4.core.SymmetryOperation) → None¶: Set equal to C2 about the x axis

c2_y(self: psi4.core.SymmetryOperation) → None¶: Set equal to C2 about the y axis

c2_z(self: psi4.core.SymmetryOperation) → None¶: Set equal to C2 about the z axis

operate(self: psi4.core.SymmetryOperation, arg0: psi4.core.SymmetryOperation) → psi4.core.SymmetryOperation¶: Performs the operation arg2 * arg1

rotate_n(self: psi4.core.SymmetryOperation, arg0: int) → None¶: Set equal to a clockwise rotation by 2pi/n

rotate_theta(self: psi4.core.SymmetryOperation, arg0: float) → None¶: Set equal to a clockwise rotation by theta

sigma_xy(self: psi4.core.SymmetryOperation) → None¶: Set equal to reflection in xy plane

sigma_xz(self: psi4.core.SymmetryOperation) → None¶: Set equal to reflection in xz plane

sigma_yz(self: psi4.core.SymmetryOperation) → None¶: Set equal to reflection in yz plane

trace(self: psi4.core.SymmetryOperation) → float¶: Returns trace of transformation matrix

transform(self: psi4.core.SymmetryOperation, arg0: psi4.core.SymmetryOperation) → psi4.core.SymmetryOperation¶: Performs the transform arg2 * arg1 * arg2~

transpose(self: psi4.core.SymmetryOperation) → None¶: Performs transposition of matrix operation

unit(self: psi4.core.SymmetryOperation) → None¶: Set equal to a unit matrix

zero(self: psi4.core.SymmetryOperation) → None¶: Zero out the symmetry operation

c2_x(self: psi4.core.SymmetryOperation) → None: Set equal to C2 about the x axis

c2_y(self: psi4.core.SymmetryOperation) → None: Set equal to C2 about the y axis

c2_z(self: psi4.core.SymmetryOperation) → None: Set equal to C2 about the z axis

operate(self: psi4.core.SymmetryOperation, arg0: psi4.core.SymmetryOperation) → psi4.core.SymmetryOperation: Performs the operation arg2 * arg1

rotate_n(self: psi4.core.SymmetryOperation, arg0: int) → None: Set equal to a clockwise rotation by 2pi/n

rotate_theta(self: psi4.core.SymmetryOperation, arg0: float) → None: Set equal to a clockwise rotation by theta

sigma_xy(self: psi4.core.SymmetryOperation) → None: Set equal to reflection in xy plane

sigma_xz(self: psi4.core.SymmetryOperation) → None: Set equal to reflection in xz plane

sigma_yz(self: psi4.core.SymmetryOperation) → None: Set equal to reflection in yz plane

trace(self: psi4.core.SymmetryOperation) → float: Returns trace of transformation matrix

transform(self: psi4.core.SymmetryOperation, arg0: psi4.core.SymmetryOperation) → psi4.core.SymmetryOperation: Performs the transform arg2 * arg1 * arg2~

transpose(self: psi4.core.SymmetryOperation) → None: Performs transposition of matrix operation

unit(self: psi4.core.SymmetryOperation) → None: Set equal to a unit matrix

zero(self: psi4.core.SymmetryOperation) → None: Zero out the symmetry operation