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Specifications and Common Mistakes

- Specifications and Common Mistakes:

- Misspellings or punctuation mistakes,incorrect formulas, abnormal display.

- Incorrect links, empty cells, or wrong formats.

- Chinese characters in English context.

- Minor inconsistencies between the UI and descriptions.

- Low writing fluency that does not affect understanding.

- Incorrect version numbers, including software package names and version numbers on the UI.

Usability

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- Incorrect or missing key steps.

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- Unclear logic, such as missing classifications, items, and steps.

Correctness

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- Incorrect commands or command parameters.

- Incorrect code.

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- Wrong screenshots.

- Sample code running error, or running results inconsistent with the expectation.

Risk Warnings

- Risk Warnings:

- Lack of risk warnings for operations that may damage the system or important data.

Content Compliance

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sponge.function.lennard_jones_potential2

sponge.function.lennard_jones_potential2(epsilon: Tensor, r_0: Tensor, r_ij: Tensor, mask: Tensor = None)

Calculate Lennard-Jones (LJ) potential with $ϵ$ and $r_0$.

Math:

$$E_{lj}(r_{ij})=4ϵ[\frac{1}{4}{\left(\frac{r_0}{r_{ij}}\right)}^{12}-\frac{1}{2}{\left(\frac{r_0}{r_{ij}}\right)}^6]$$

Parameters

• epsilon (Tensor) – Tensor of shape (…). Data type is float. Well depth $ϵ$.

• r_0 (Tensor) – Tensor of shape (…). Data type is float. Atomic radius $r_0$.

• r_ij (Tensor) – Tensor of shape (…). Data type is float. Distance $r_{ij}$ between atoms $i$ and $i$.

• mask (Tensor) – Tensor of shape (…). Data type is bool. Mask for distances $r_{ij}$. Default: None.

Returns

E_coulomb (Tensor), Tensor of shape (…). Data type is float.

Supported Platforms:

Ascend GPU