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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 code.

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

Risk Warnings

- Risk Warnings:

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Content Compliance

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sponge.function.calc_vector_pbc

sponge.function.calc_vector_pbc(initial: Tensor, terminal: Tensor, pbc_box: Tensor)

Compute vector from initial point to terminal point at perodic bundary condition.

Parameters

• initial (Tensor) – Tensor of shape $(...,D)$, where $D$ is the spatial dimension of the simulation system (usually 3). Data type is float. Position coordinate of initial point

• terminal (Tensor) – Tensor of shape $(...,D)$. Data type is float. Position coordinate of terminal point

• pbc_box (Tensor) – Tensor of shape $(D)$ or $(B,D)$, where $B$ is the batchsize (i.e., number of walkers in simulation). Data type is float. Size of PBC box.

Returns

vector (Tensor), a tensor of shape $(...,D)$. Data type is float.

Supported Platforms:

Ascend GPU