c4ro-0 / nanodcaltool

A toolkit for NanoDCAL, including xml reading...

NanoDCALTool

A toolkit for NanoDCAL, including xml reading...

install

Here we choose the conda to install the environment depended.

• create conda environment

  $ conda create -n NanoDCALTool python=3.9

• active environment

  $ conda activate NanoDCALTool

• install requirements

  $ conda activate NanoDCALTool
  # 
  $ conda install --yes --file requirements.txt
  # or install with pip, if you like you can add " -i https://pypi.tuna.tsinghua.edu.cn/simple" to use a mirror in China
  $ pip install -r requirements.txt 

usage

$ python main.py --xml_i='./example/testPY/Transmission.xml' --auto

将Transmission.xml数据读出来, 并转化为Python格式, 并储存在npz文件中. 如果是数组是二维数组将会以txt格式明文储存.

如果有coordinatesOfKPoints数据, 会把k点映的定义域射到关于0点对称的范围, 如$(0,2 \pi) \to (-\pi,\pi)$. 坐标储存在transm.coordinatesOfKPoints_transpose_shift.dat文件中.