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njzjz-botJinzhe Zeng
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docs: define m_1 (embedding width) in fitting formulas
Add explicit definition of m_1 as the embedding width in both dipole_fitting and polarizability_fitting docstrings.
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deepmd/dpmodel/fitting/dipole_fitting.py

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@@ -43,8 +43,9 @@ class DipoleFitting(GeneralFitting):
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\boldsymbol{\mu}^i = \mathbf{M}^i \cdot \mathbf{R}^i,
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where :math:`\mathbf{M}^i \in \mathbb{R}^{1 \times m_1}` is the output of the fitting
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network for atom :math:`i`, and :math:`\mathbf{R}^i \in \mathbb{R}^{m_1 \times 3}` is
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the rotation matrix from the descriptor. The fitting network is:
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network for atom :math:`i`, :math:`\mathbf{R}^i \in \mathbb{R}^{m_1 \times 3}` is
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the rotation matrix from the descriptor, and :math:`m_1` is the embedding width
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(the dimension of the rotation matrix). The fitting network is:
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.. math::
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\mathbf{M}^i = \mathcal{L}^{(n)} \circ \mathcal{L}^{(n-1)} \circ \cdots \circ \mathcal{L}^{(0)}(\mathcal{D}^i),

deepmd/dpmodel/fitting/polarizability_fitting.py

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@@ -46,7 +46,8 @@ class PolarFitting(GeneralFitting):
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The polarizability tensor :math:`\boldsymbol{\alpha} \in \mathbb{R}^{3 \times 3}` is
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computed from the fitting network output and the rotation matrix
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:math:`\mathbf{R}^i \in \mathbb{R}^{m_1 \times 3}` from the descriptor:
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:math:`\mathbf{R}^i \in \mathbb{R}^{m_1 \times 3}` from the descriptor,
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where :math:`m_1` is the embedding width (the dimension of the rotation matrix):
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**Diagonal fitting** (when `fit_diag=True`):
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