Class Scine::Utils::DipoleMatrix¶

class DipoleMatrix¶

This class stores the dipole integrals <mu|r|nu> in their three components x, y, z.

Unnamed Group

Eigen::MatrixXd &x()¶: Getters and setters for the x, y and z components of the matrix.

Public Functions

void reset(int dimension)¶

Resets the dipole matrix.

Parameters

dimension: the number of basis function in the system, i.e. the dimension of the integral matrices.

Eigen::MatrixXd &operator[](int index)¶

Returns the components by index.

0 is x, 1 is y and 2 is z.