Difference between revisions of "Two-body DeepPot-SE"
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== Theory == | == Theory == | ||
The descriptor is given by | The descriptor is given by | ||
<math> | |||
\mathcal{D}^i = (\mathcal{G}^i)^T \mathcal{R}^i (\mathcal{R}^i)^T \mathcal{G}^i_< | |||
</math> | |||
== Usage == | == Usage == | ||
Revision as of 10:41, 4 December 2021
Two-body DeepPot-SE (se_e2_a or se_e2_r) is a descriptor of the Deep Potential Smooth Edition (DeepPot-SE) constructed from two-body information of atomic configurations.
Theory
The descriptor is given by [math]\displaystyle{ \mathcal{D}^i = (\mathcal{G}^i)^T \mathcal{R}^i (\mathcal{R}^i)^T \mathcal{G}^i_\lt }[/math]
