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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

- Usability:

- Incorrect or missing key steps.

- Missing main function descriptions, keyword explanation, necessary prerequisites, or precautions.

- Ambiguous descriptions, unclear reference, or contradictory context.

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

Correctness

- Correctness:

- Technical principles, function descriptions, supported platforms, parameter types, or exceptions inconsistent with that of software implementation.

- Incorrect schematic or architecture diagrams.

- Incorrect commands or command parameters.

- Incorrect code.

- Commands inconsistent with the functions.

- 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

- Content Compliance:

- Contents that may violate applicable laws and regulations or geo-cultural context-sensitive words and expressions.

- Copyright infringement.

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sponge.function.pbc_image

sponge.function.pbc_image(position: Tensor, pbc_box: Tensor, offset: float = 0)

calculate the periodic image of the PBC box

Parameters

• position (Tensor) – Tensor of shape $(B,...,D)$. Data type is float. B is batchsize, i.e. number of walkers in simulation D is spatial dimension of the simulation system. Usually is 3.

• pbc_box (Tensor) – Tensor of shape $(B,D)$. Data type is float.

• offset (float) – Offset ratio $c$ relative to box size $\overrightarrow{L}$. Default: 0

Returns

image (Tensor), a tensor of shape $(B,...,D)$. Data type is int32.

Supported Platforms:

Ascend GPU