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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多语言动力学数值积分与轨迹可视化框架。
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支持 Python、C、C++、Fortran 多种语言实现同一套物理引擎,共享同一套可视化管线
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(抽帧、绘图、3D 动画),直接在 `parameters.yaml` 中切换引擎即可对比性能。
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(抽帧、绘图、3D 动画),直接在 `input.txt` 中切换引擎即可对比性能。
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## 快速开始
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├── examples/
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│ └── case01/
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│ ├── input/
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│ │ ├── parameters.yaml ← 唯一配置文件
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│ │ ├── input.txt ← 唯一配置文件(YAML 格式)
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│ │ ├── coord.txt
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│ │ ├── connection.txt
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│ │ └── bond.txt
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└── .workbuddy/memory/ ← 工作记忆(AI 辅助开发用)
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```
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## 配置文件 (`parameters.yaml`)
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## 配置文件 (`input.txt` — YAML 格式)
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所有控制集中在一个文件里:
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@@ -91,7 +91,7 @@ alpha: [0.0, 0.0, 0.2, 0.2, 0.0, 0.0]
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### 一键切换
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```yaml
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# parameters.yaml 中改一行
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# input.txt 中改一行
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engine: c # 切换到 C 引擎
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engine: python # 切回 Python
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```
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@@ -187,7 +187,7 @@ pip install numpy pyyaml tqdm matplotlib vispy PyQt5
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## 工作原理
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```
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parameters.yaml
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input.txt
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│
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▼
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dynamics.py ──→ run_from_config() 加载全局参数
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