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854f00ae44
- 新增 driving_force 驱动力系统（driver.txt 定义，支持周期控制） - 新增 use_marker 渲染开关（GPU实例化点精灵，提升大量原子性能） - 修复动画闪退：独立控制台、错误日志、启动存活检测 - 重绘 draw.py 架构：双渲染模式 + 预分配键线缓冲区 - 修复 raw trajectory 采样时间变量遮蔽 bug - 重构 case05: 60原子一维链 + 驱动力 + 完整案例文档 - 修复所有案例 Readme.md 编码（GBK → UTF-8） - 所有 input.txt 新增 driver_file / driving_force / use_marker 参数
55 lines
1.5 KiB
Python
55 lines
1.5 KiB
Python
"""
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Case runner for Dynamics case05 — 1D atomic chain.
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This script keeps program and data separated:
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- program: ../../dynamics.py
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- input: ./input
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- output: ./output
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"""
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from __future__ import annotations
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import argparse
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import importlib.util
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from pathlib import Path
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CASE_DIR = Path(__file__).resolve().parent
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DYNAMICS_PATH = Path("..") / ".." / "dynamics.py"
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INPUT_DIR = Path("input")
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OUTPUT_DIR = Path("output")
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CONFIG_FILE = INPUT_DIR / "input.txt"
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def load_dynamics_module(module_path: Path):
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spec = importlib.util.spec_from_file_location("dynamics_module", module_path)
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if spec is None or spec.loader is None:
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raise ImportError(f"无法加载 dynamics.py: {module_path}")
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module = importlib.util.module_from_spec(spec)
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spec.loader.exec_module(module)
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return module
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def main():
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parser = argparse.ArgumentParser(description="运行 Dynamics 示例案例 case01")
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parser.add_argument("--no-plot", action="store_true", help="跳过 matplotlib 绘图")
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args = parser.parse_args()
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dynamics_path = (CASE_DIR / DYNAMICS_PATH).resolve()
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input_dir = (CASE_DIR / INPUT_DIR).resolve()
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output_dir = (CASE_DIR / OUTPUT_DIR).resolve()
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config_path = (CASE_DIR / CONFIG_FILE).resolve()
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module = load_dynamics_module(dynamics_path)
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module.run_case(
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config_path=config_path,
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runtime_base=CASE_DIR,
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input_dir=input_dir,
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output_dir=output_dir,
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no_plot=args.no_plot,
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)
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if __name__ == "__main__":
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main()
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