admin
131f52fe19
- case05 Readme.md 更新为纵波模拟描述 - case05 run_dynamics.py 注释更新 - case06 创建为一维原子链横波模拟 - coord.txt: fix_x=1, fix_y=1, fix_z=0 (z方向自由) - driver.txt: amp_z=0.5, freq_z=0.1, phi_z=90° - input.txt: 横波配置 + step_plot_wave - Readme.md + doc/index.html + run_dynamics.py - 模拟验证通过 (50000步/30s)
55 lines
1.5 KiB
Python
55 lines
1.5 KiB
Python
"""
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Case runner for Dynamics case06 — 1D atomic chain (transverse wave).
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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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