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Expand file tree Collapse file tree Original file line number Diff line number Diff line change @@ -43,8 +43,9 @@ class DipoleFitting(GeneralFitting):
4343 \boldsymbol{\mu}^i = \mathbf{M}^i \cdot \mathbf{R}^i,
4444
4545 where :math:`\mathbf{M}^i \in \mathbb{R}^{1 \times m_1}` is the output of the fitting
46- network for atom :math:`i`, and :math:`\mathbf{R}^i \in \mathbb{R}^{m_1 \times 3}` is
47- the rotation matrix from the descriptor. The fitting network is:
46+ network for atom :math:`i`, :math:`\mathbf{R}^i \in \mathbb{R}^{m_1 \times 3}` is
47+ the rotation matrix from the descriptor, and :math:`m_1` is the embedding width
48+ (the dimension of the rotation matrix). The fitting network is:
4849
4950 .. math::
5051 \mathbf{M}^i = \mathcal{L}^{(n)} \circ \mathcal{L}^{(n-1)} \circ \cdots \circ \mathcal{L}^{(0)}(\mathcal{D}^i),
Original file line number Diff line number Diff line change @@ -46,7 +46,8 @@ class PolarFitting(GeneralFitting):
4646
4747 The polarizability tensor :math:`\boldsymbol{\alpha} \in \mathbb{R}^{3 \times 3}` is
4848 computed from the fitting network output and the rotation matrix
49- :math:`\mathbf{R}^i \in \mathbb{R}^{m_1 \times 3}` from the descriptor:
49+ :math:`\mathbf{R}^i \in \mathbb{R}^{m_1 \times 3}` from the descriptor,
50+ where :math:`m_1` is the embedding width (the dimension of the rotation matrix):
5051
5152 **Diagonal fitting** (when `fit_diag=True`):
5253
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