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README.md

stm_data_processing 模块文档索引

本目录收录 stm_data_processing 各模块的接口文档。文档统一采用以下结构:模块概述、核心类/函数、参数与返回结构表、数学公式(适用时)、使用示例、依赖项、错误处理、接口对齐检查清单。

顶层基础设施

模块 文档
config.py(CPU/GPU 后端管理) config.md
logger.py(简化日志库) logger.md

dft / openmx

模块 文档
band.py(能带解析) dft/openmx/band.md
dos.py(DOS/PDOS 加载) dft/openmx/dos.md
parser.py(OpenMX 输出解析) dft/openmx/parser.md
unfolding.py(能带展开/谱函数) dft/openmx/unfolding.md
diff_gcube.py(Gaussian cube 差分) dft/openmx/diff_gcube.md

dft / wannier90

模块 文档
mlwf_hamiltonian.py dft/wannier90/mlwf_hamiltonian.md
mlwf_gk.py dft/wannier90/mlwf_gk.md
mlwf_ek2d.py dft/wannier90/mlwf_ek2d.md
mlwf_susceptibility.py dft/wannier90/mlwf_susceptibility.md
bare_lindhard.py(算法说明) dft/wannier90/static_lindhard_overlap.md

io

模块 文档
nanonis_loader.py ../STM_README.rst
w90hr_loader.py io/w90hr_loader.md
ek2d_io.py io/ek2d_io.md
lattice_loader.py io/lattice_loader.md
qpi_io.py io/qpi_io.md
susceptibility_io.py io/susceptibility_io.md

stm

模块 文档
qpi_jdos.py stm/qpi_jdos.md
qpi_born.py stm/qpi_born.md
qpi_tmat.py stm/qpi_tmat.md
vortex_num.py stm/vortex_num.md
preview_plot.py stm/preview_plot.md
AutoPPT 脚本(utils/AutoPPt_winnew_modified.py stm/auto_powerpoint.md

utils

模块 文档
lattice.py utils/lattice.md
lattice_operations.py utils/lattice_operations.md
lindhard1dfree.py utils/lindhard1dfree.md
btk.py utils/btk.md
miscellaneous.py utils/miscellaneous.md
monitor.py utils/monitor.md
plot_funcs.py utils/plot_funcs.md
extract_k_type.py utils/extract_k_type.md
nanonis_ppt_generator.py utils/nanonis_ppt_generator.md