modified: CMakeLists.txt
modified: INSTALL.md modified: README.md modified: build_release_zip.py modified: compute.py new file: doc/index.html modified: dynamics.py modified: engines/c/main.c modified: engines/cpp/main.cpp modified: engines/fortran/main.f90 modified: examples/case01/input/coord.txt renamed: examples/case01/input/parameters.yaml -> examples/case01/input/input.txt modified: examples/case01/run_dynamics.py new file: examples/case02/input/bond.txt new file: examples/case02/input/connection.txt new file: examples/case02/input/coord.txt new file: examples/case02/input/input.txt new file: examples/case02/run_dynamics.py
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@@ -461,7 +461,7 @@ py -3 examples/case01/run_dynamics.py
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### C 引擎验证
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```bash
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# 修改 parameters.yaml 中 engine: python → engine: c
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# 修改 input.txt 中 engine: python → engine: c
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# 或用命令行指定
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py -3 examples/case01/run_dynamics.py
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```
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@@ -543,7 +543,7 @@ pip install -i https://pypi.tuna.tsinghua.edu.cn/simple numpy pyyaml tqdm matplo
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### Q: 如何使用 C 引擎?
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```yaml
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# 1. 修改 examples/case01/input/parameters.yaml
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# 1. 修改 examples/case01/input/input.txt
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engine: c
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# 2. 先编译
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