运行nanohubtools的一组工具
nanohubtools的Python项目详细描述
nanohubtools
要在nanohub上运行的一组工具/应用程序
安装
pip install nanohubtools
用法
importnanohubtoolsasntauth_data={'client_id':XXXXXXXX,'client_secret':XXXXXXXX,'grant_type':'password','username':XXXXXXXX,'password':XXXXXXXX}# to get username and password, register on nanohub.org (https://nanohub.org/register/)# to get client id and secret, create a web application (https://nanohub.org/developer/api/applications/new), use "https://127.0.0.1" as Redirect URLtool=nt.Qdotexplorer(auth_data,parameters={'Number of States'},modal=True,mode='split-right')# modal defines if the container outputs to use FloatView or standard ipywidgets Output# mode defines the positions of new windows of Floatview is enabledtool.loadExperiment('IDSESSION')Ifanexperimentwascreatedbefores
可用的NanoHub工具
bravaisviewersimplified,由Crystal Viewer Tool
支持nt.CrystalViewerConstructor(auth_data,modal=False)
晶体视图简化,由Crystal Viewer Tool
支持nt.CrystalViewerConstructor(auth_data,modal=False)
晶体,由Crystal Viewer Tool
支撑nt.CrystalLab(auth_data)
晶体材料,由Crystal Viewer Tool
支撑nt.CrystalViewerMaterial(auth_data,modal=False)
CrystalViewerBravais,由Crystal Viewer Tool
支持nt.CrystalViewerBravais(auth_data,modal=False)
CrystalViewerConstructor,由Crystal Viewer Tool
支持nt.CrystalViewerConstructor(auth_data,modal=False)
SimpleQuantumDot,由Quantum Dot Lab
支持nt.SimpleQuantumDot(auth_data,modal=False)
叠加量子点,由Quantum Dot Lab
支持nt.StackedQuantumDot(auth_data,modal=False)
pntoy,由[pn连接实验室](https://nanohub.org/resources/pntoy)支持
nt.PNToy(auth_data,modal=False)
漂移扩散实验室支持的漂移扩散实验室
nt.Driftdiffusionlab(auth_data,modal=False)
dftExplorer,由[dft calculations with quantum espresso](https://nanohub.org/resources/dftqe)支持
nt.DFTExplorer(auth_data,modal=False)