DGBWavefunction
__init__(self, energy, data, gaussians: Psience.DGB.Gaussians.DGBGaussians = None, **opts):
get_dimension(self):
plot(self, figure=None, domain=None, plot_centers=False, **opts):
to_cartesian_wavefunction(self):
Projects the wavefunction back to Cartesians
:returns:_
plot_cartesians(self, xyz_sel=None, *, atom_sel=None, figure=None, plot_centers=False, atom_styles=None, **plot_styles):
evaluate(self, points):
marginalize_out(self, dofs, rescale=True) -> 'DGBWavefunction':
Computes the projection of the current wavefunction onto a set of degrees of freedom, returning a projected wave function object
:returns:Wavefunction