DipoleSurface

Provides a unified interface to working with dipole surfaces. Currently basically no fancier than a regular surface (although with convenient loading functions), but dipole-specific stuff could come

Properties and Methods

from_log_file: method
from_fchk_file: method

__init__(self, mu_x, mu_y, mu_z): 

• mu_x: Surface

  X-component of dipole moment

• mu_y: Surface

  Y-component of dipole moment

• mu_z: Surface

  Z-component of dipole moment

get_log_values(log_file, keys=('StandardCartesianCoordinates', 'DipoleMoments')): 

get_fchk_values(fchk_file): 

__call__(self, gridpoints, **opts): 

Explicitly overrides the Surface-level evaluation because we know the Taylor surface needs us to flatten our gridpoints

• gridpoints: Any

  No description…

• opts: Any

  No description…

• :returns: _

  No description…

Examples

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