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