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add unit test

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Pull Request Labeler on: pull_request_target

triage

Build C library on: pull_request

Build C library (2.18, libdeepmd_c.tar.gz)

Test building from C library

Pass building c library

Test CUDA on: pull_request

Test Python and C++ on CUDA

Pass testing on CUDA

Test Python on: pull_request

Test Python (1, 3.10)

Test Python (1, 3.13)

Test Python (2, 3.10)

Test Python (2, 3.13)

Test Python (3, 3.10)

Test Python (3, 3.13)

Test Python (4, 3.10)

Test Python (4, 3.13)

Test Python (5, 3.10)

Test Python (5, 3.13)

Test Python (6, 3.10)

Test Python (6, 3.13)

Test Python (7, 3.10)

Test Python (7, 3.13)

Test Python (8, 3.10)

Test Python (8, 3.13)

Test Python (9, 3.10)

Test Python (9, 3.13)

Test Python (10, 3.10)

Test Python (10, 3.13)

Test Python (11, 3.10)

Test Python (11, 3.13)

Test Python (12, 3.10)

Test Python (12, 3.13)

Combine and update integration test durations (3.10)

Combine and update integration test durations (3.13)

Pass testing Python

Build C++ on: pull_request

Build C++ (cpu, cpu)

Build C++ (cuda120, cuda)

Build C++ (rocm, rocm)

Build C++ (clang, clang)

Pass building C++

CodeQL on: pull_request

Analyze (c-cpp)

Analyze (javascript-typescript)

Analyze (python)

Build and upload to PyPI on: pull_request

Build wheels for cp311-manylinux_x86_64

Build wheels for cp311-macosx_x86_64

Build wheels for cp311-macosx_arm64

Build wheels for cp311-win_amd64

Build wheels for cp310-manylinux_aarch64

Build source distribution

build_docker (12)

upload_pypi

build_pypi_index

deploy_pypi_index

Pass testing build wheels

Test C++ on: pull_request

Test C++ (true, true, true, false)

Test C++ (true, false, false, true)

Test C++ (false, true, true, false)

Test C++ (false, false, false, true)

Pass testing C++

Code scanning results

CodeQL

Codecov

codecov/patch

codecov/project

codecov/project/C API

codecov/project/C++ API

codecov/project/Core

codecov/project/LAMMPS

codecov/project/OP

codecov/project/Python

codecov/project/i-PI

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