分享一个 CRYSTALpytools 程序：晶体代码的 Python 基础架构。
感谢论文的原作者！
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InstallationCreate a conda/anaconda environmentThis step is not mandatory, but it makes using CRYSTALpytools very smooth. It is, therefore, very recommended. If you are new to anaconda, please follow these steps to install it on your computer.Create a new conda environment:conda create --name crystal python=3.9In the line above, “crystal” is the name of the environment and can be set to any you like. The “python=3.9” ensures that the suitable python distribution is installed.Activate the conda environment:conda activate crystalInstall CRYSTALpytoolsThe CRYSTALpytools package can be installed from pip. Pip is a package-management system written in Python and is used to install and manage software packages (called modules in python).pip install --upgrade CRYSTALpytoolsWindows users might need to install windows-curses. This can be done by using:pip install windows-cursesTo check that CRYSTALpytools was install please typeconda listThis will return a list of all the modules installed in the environment. Here there should be CRYSTALpytools. If this was not the case, something went wrong during the installation. Please check the location of the environment that is being displayed. This appears at the beginning of the conda list command. The most common mistake at this stage is that the environment was not activated as described above.
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文章题目：
CRYSTALpytools: A Python infrastructure for the Crystal code
文章链接：
https://www.sciencedirect.com/science/article/pii/S0010465523001984
https://github.com/crystal-code-tools
https://crystal-code-tools.github.io/CRYSTALpytools/
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