python flow_Python aflow包_程序模块 - PyPI - Python中文网

AFLOWpython api

为aflow库包装aflux api语言的pythonapi。注意:

这不是aflow财团的正式回购,也不是

由他们维护。API

Documentation。

如果您使用此软件包,请注明:@ARTICLE{2017arXiv171000813R,

author = {{Rosenbrock}, C.~W.},

title = "{A Practical Python API for Querying AFLOWLIB}",

journal = {ArXiv e-prints},

archivePrefix = "arXiv",

eprint = {1710.00813},

primaryClass = "cs.DB",

keywords = {Computer Science - Databases},

year = 2017,

month = sep,

adsurl = {http://adsabs.harvard.edu/abs/2017arXiv171000813R},

adsnote = {Provided by the SAO/NASA Astrophysics Data System}

}

快速启动

从python包索引安装aflow:pip install aflow

打开ipython笔记本或终端并从

纸张:fromaflowimport*result=search(batch_size=20).select(K.agl_thermal_conductivity_300K).filter(K.Egap>6).orderby(K.agl_thermal_conductivity_300K,True)# Now, you can just iterate over the results.forentryinresult:print(entry.Egap)

aflow支持延迟计算。这意味着如果你不问

对于初始查询期间的特定属性,您可以只要求

稍后,请求将在后台透明地发生。

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