--- title: Pivotpy Module keywords: fastai sidebar: home_sidebar summary: "Install and work!" description: "Install and work!" nb_path: "test.ipynb" ---
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!pip install pivotpy
Requirement already satisfied: pivotpy in e:\research\pivotpy (1.0.3)
Requirement already satisfied: fastcore==1.3.1 in c:\users\mass_\appdata\local\programs\python\python37\lib\site-packages (from pivotpy) (1.3.1)
Requirement already satisfied: nbformat>=4.4.0 in c:\users\mass_\appdata\local\programs\python\python37\lib\site-packages (from pivotpy) (5.0.4)
Requirement already satisfied: nbconvert<6 in c:\users\mass_\appdata\local\programs\python\python37\lib\site-packages (from pivotpy) (5.6.1)
Requirement already satisfied: plotly==4.7.1 in c:\users\mass_\appdata\local\programs\python\python37\lib\site-packages (from pivotpy) (4.7.1)
Requirement already satisfied: ipywidgets==7.5.1 in c:\users\mass_\appdata\local\programs\python\python37\lib\site-packages (from pivotpy) (7.5.1)
Requirement already satisfied: numpy==1.19.2 in c:\users\mass_\appdata\local\programs\python\python37\lib\site-packages (from pivotpy) (1.19.2)
Requirement already satisfied: matplotlib==3.3.3 in c:\users\mass_\appdata\local\programs\python\python37\lib\site-packages (from pivotpy) (3.3.3)
Requirement already satisfied: scipy==1.2.1 in c:\users\mass_\appdata\local\programs\python\python37\lib\site-packages (from pivotpy) (1.2.1)
Requirement already satisfied: pandas==1.1.2 in c:\users\mass_\appdata\local\programs\python\python37\lib\site-packages (from pivotpy) (1.1.2)
Requirement already satisfied: packaging in c:\users\mass_\appdata\local\programs\python\python37\lib\site-packages (from fastcore==1.3.1->pivotpy) (20.3)
Requirement already satisfied: pip in c:\users\mass_\appdata\local\programs\python\python37\lib\site-packages (from fastcore==1.3.1->pivotpy) (21.0.1)
Requirement already satisfied: traitlets>=4.3.1 in c:\users\mass_\appdata\local\programs\python\python37\lib\site-packages (from ipywidgets==7.5.1->pivotpy) (4.3.2)
Requirement already satisfied: widgetsnbextension~=3.5.0 in c:\users\mass_\appdata\local\programs\python\python37\lib\site-packages (from ipywidgets==7.5.1->pivotpy) (3.5.1)
Requirement already satisfied: ipython>=4.0.0 in c:\users\mass_\appdata\local\programs\python\python37\lib\site-packages (from ipywidgets==7.5.1->pivotpy) (7.4.0)
Requirement already satisfied: ipykernel>=4.5.1 in c:\users\mass_\appdata\local\programs\python\python37\lib\site-packages (from ipywidgets==7.5.1->pivotpy) (5.1.4)
Requirement already satisfied: kiwisolver>=1.0.1 in c:\users\mass_\appdata\roaming\python\python37\site-packages (from matplotlib==3.3.3->pivotpy) (1.1.0)
Requirement already satisfied: pillow>=6.2.0 in c:\users\mass_\appdata\local\programs\python\python37\lib\site-packages (from matplotlib==3.3.3->pivotpy) (7.0.0)
Requirement already satisfied: pyparsing!=2.0.4,!=2.1.2,!=2.1.6,>=2.0.3 in c:\users\mass_\appdata\roaming\python\python37\site-packages (from matplotlib==3.3.3->pivotpy) (2.4.2)
Requirement already satisfied: cycler>=0.10 in c:\users\mass_\appdata\roaming\python\python37\site-packages (from matplotlib==3.3.3->pivotpy) (0.10.0)
Requirement already satisfied: python-dateutil>=2.1 in c:\users\mass_\appdata\local\programs\python\python37\lib\site-packages (from matplotlib==3.3.3->pivotpy) (2.8.1)
Requirement already satisfied: pytz>=2017.2 in c:\users\mass_\appdata\local\programs\python\python37\lib\site-packages (from pandas==1.1.2->pivotpy) (2020.1)
Requirement already satisfied: six in c:\users\mass_\appdata\local\programs\python\python37\lib\site-packages (from plotly==4.7.1->pivotpy) (1.15.0)
Requirement already satisfied: retrying>=1.3.3 in c:\users\mass_\appdata\local\programs\python\python37\lib\site-packages (from plotly==4.7.1->pivotpy) (1.3.3)
Requirement already satisfied: tornado>=4.2 in c:\users\mass_\appdata\local\programs\python\python37\lib\site-packages (from ipykernel>=4.5.1->ipywidgets==7.5.1->pivotpy) (6.1)
Requirement already satisfied: jupyter-client in c:\users\mass_\appdata\local\programs\python\python37\lib\site-packages (from ipykernel>=4.5.1->ipywidgets==7.5.1->pivotpy) (6.1.7)
Requirement already satisfied: jedi>=0.10 in c:\users\mass_\appdata\local\programs\python\python37\lib\site-packages (from ipython>=4.0.0->ipywidgets==7.5.1->pivotpy) (0.13.3)
Requirement already satisfied: setuptools>=18.5 in c:\users\mass_\appdata\roaming\python\python37\site-packages (from ipython>=4.0.0->ipywidgets==7.5.1->pivotpy) (46.1.3)
Requirement already satisfied: pygments in c:\users\mass_\appdata\local\programs\python\python37\lib\site-packages (from ipython>=4.0.0->ipywidgets==7.5.1->pivotpy) (2.6.1)
Requirement already satisfied: prompt-toolkit<2.1.0,>=2.0.0 in c:\users\mass_\appdata\local\programs\python\python37\lib\site-packages (from ipython>=4.0.0->ipywidgets==7.5.1->pivotpy) (2.0.10)
Requirement already satisfied: backcall in c:\users\mass_\appdata\local\programs\python\python37\lib\site-packages (from ipython>=4.0.0->ipywidgets==7.5.1->pivotpy) (0.1.0)
Requirement already satisfied: decorator in c:\users\mass_\appdata\local\programs\python\python37\lib\site-packages (from ipython>=4.0.0->ipywidgets==7.5.1->pivotpy) (4.4.0)
Requirement already satisfied: colorama in c:\users\mass_\appdata\local\programs\python\python37\lib\site-packages (from ipython>=4.0.0->ipywidgets==7.5.1->pivotpy) (0.4.1)
Requirement already satisfied: pickleshare in c:\users\mass_\appdata\local\programs\python\python37\lib\site-packages (from ipython>=4.0.0->ipywidgets==7.5.1->pivotpy) (0.7.5)
Requirement already satisfied: parso>=0.3.0 in c:\users\mass_\appdata\local\programs\python\python37\lib\site-packages (from jedi>=0.10->ipython>=4.0.0->ipywidgets==7.5.1->pivotpy) (0.3.4)
Requirement already satisfied: jupyter-core in c:\users\mass_\appdata\local\programs\python\python37\lib\site-packages (from nbconvert<6->pivotpy) (4.6.2)
Requirement already satisfied: bleach in c:\users\mass_\appdata\local\programs\python\python37\lib\site-packages (from nbconvert<6->pivotpy) (3.1.0)
Requirement already satisfied: defusedxml in c:\users\mass_\appdata\local\programs\python\python37\lib\site-packages (from nbconvert<6->pivotpy) (0.6.0)
Requirement already satisfied: pandocfilters>=1.4.1 in c:\users\mass_\appdata\local\programs\python\python37\lib\site-packages (from nbconvert<6->pivotpy) (1.4.2)
Requirement already satisfied: jinja2>=2.4 in c:\users\mass_\appdata\local\programs\python\python37\lib\site-packages (from nbconvert<6->pivotpy) (2.11.1)
Requirement already satisfied: mistune<2,>=0.8.1 in c:\users\mass_\appdata\local\programs\python\python37\lib\site-packages (from nbconvert<6->pivotpy) (0.8.4)
Requirement already satisfied: testpath in c:\users\mass_\appdata\local\programs\python\python37\lib\site-packages (from nbconvert<6->pivotpy) (0.4.4)
Requirement already satisfied: entrypoints>=0.2.2 in c:\users\mass_\appdata\local\programs\python\python37\lib\site-packages (from nbconvert<6->pivotpy) (0.3)
Requirement already satisfied: MarkupSafe>=0.23 in c:\users\mass_\appdata\local\programs\python\python37\lib\site-packages (from jinja2>=2.4->nbconvert<6->pivotpy) (1.1.1)
Requirement already satisfied: ipython-genutils in c:\users\mass_\appdata\local\programs\python\python37\lib\site-packages (from nbformat>=4.4.0->pivotpy) (0.2.0)
Requirement already satisfied: jsonschema!=2.5.0,>=2.4 in c:\users\mass_\appdata\local\programs\python\python37\lib\site-packages (from nbformat>=4.4.0->pivotpy) (3.2.0)
Requirement already satisfied: pyrsistent>=0.14.0 in c:\users\mass_\appdata\local\programs\python\python37\lib\site-packages (from jsonschema!=2.5.0,>=2.4->nbformat>=4.4.0->pivotpy) (0.15.7)
Requirement already satisfied: attrs>=17.4.0 in c:\users\mass_\appdata\local\programs\python\python37\lib\site-packages (from jsonschema!=2.5.0,>=2.4->nbformat>=4.4.0->pivotpy) (19.3.0)
Requirement already satisfied: importlib-metadata in c:\users\mass_\appdata\local\programs\python\python37\lib\site-packages (from jsonschema!=2.5.0,>=2.4->nbformat>=4.4.0->pivotpy) (1.5.0)
Requirement already satisfied: wcwidth in c:\users\mass_\appdata\local\programs\python\python37\lib\site-packages (from prompt-toolkit<2.1.0,>=2.0.0->ipython>=4.0.0->ipywidgets==7.5.1->pivotpy) (0.1.7)
Requirement already satisfied: notebook>=4.4.1 in c:\users\mass_\appdata\local\programs\python\python37\lib\site-packages (from widgetsnbextension~=3.5.0->ipywidgets==7.5.1->pivotpy) (6.0.3)
Requirement already satisfied: Send2Trash in c:\users\mass_\appdata\local\programs\python\python37\lib\site-packages (from notebook>=4.4.1->widgetsnbextension~=3.5.0->ipywidgets==7.5.1->pivotpy) (1.5.0)
Requirement already satisfied: prometheus-client in c:\users\mass_\appdata\local\programs\python\python37\lib\site-packages (from notebook>=4.4.1->widgetsnbextension~=3.5.0->ipywidgets==7.5.1->pivotpy) (0.7.1)
Requirement already satisfied: pyzmq>=17 in c:\users\mass_\appdata\local\programs\python\python37\lib\site-packages (from notebook>=4.4.1->widgetsnbextension~=3.5.0->ipywidgets==7.5.1->pivotpy) (18.1.1)
Requirement already satisfied: terminado>=0.8.1 in c:\users\mass_\appdata\local\programs\python\python37\lib\site-packages (from notebook>=4.4.1->widgetsnbextension~=3.5.0->ipywidgets==7.5.1->pivotpy) (0.8.3)
Requirement already satisfied: pywin32>=1.0 in c:\users\mass_\appdata\local\programs\python\python37\lib\site-packages (from jupyter-core->nbconvert<6->pivotpy) (227)
Requirement already satisfied: pywinpty>=0.5 in c:\users\mass_\appdata\local\programs\python\python37\lib\site-packages (from terminado>=0.8.1->notebook>=4.4.1->widgetsnbextension~=3.5.0->ipywidgets==7.5.1->pivotpy) (0.5.7)
Requirement already satisfied: webencodings in c:\users\mass_\appdata\local\programs\python\python37\lib\site-packages (from bleach->nbconvert<6->pivotpy) (0.5.1)
Requirement already satisfied: zipp>=0.5 in c:\users\mass_\appdata\local\programs\python\python37\lib\site-packages (from importlib-metadata->jsonschema!=2.5.0,>=2.4->nbformat>=4.4.0->pivotpy) (2.2.0)
The system cannot find the path specified.
WARNING: You are using pip version 21.0.1; however, version 21.1 is available.
You should consider upgrading via the 'c:\users\mass_\appdata\local\programs\python\python37\python.exe -m pip install --upgrade pip' command.
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Documentation is available on following links: {% include note.html content='Below graphs may not work as expected in Colab, you may need to upgrade plotly. Also data is not associated behind the graphs so it will throw error on run. Play with your own data. ' %}

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  Index● 
  XmlElementTree 
  StaticPlots 
  InteractivePlots 
  Utilities 
  StructureIO 
  Widgets 
  MainAPI 

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Upload Files or Mount Drive

You can upload many files

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from google.colab import files 
uploads = files.upload()
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uploads.keys() #See which files are there and then write path below
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path = 'vasprun.xml' if 'vasprun.xml' in uploads.keys() else None
#path = "E:/Research/graphene_example/ISPIN_1/bands/vasprun.xml"
vr = pp.Vasprun(path)
args_dict = dict(
            elements = [[0, 1], [0, 1], [0, 1]],
            orbs = [[0], [2], [1, 3]],
            labels = ['s', 'pz', 'px+py'] 
            )
fig = vr.iplot_rgb_lines(**args_dict)
pp.iplot2html(fig)
Loading from PowerShell Exported Data...
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axs = pp.get_axes(ncols=3,figsize=(8,3),sharey=True,sharex=True)
vr.splot_bands(ax=axs[0])
vr.splot_color_lines(**args_dict,axes=axs[1])
vr.splot_rgb_lines(**args_dict,ax=axs[2],colorbar=True)
axs[1].add_legend()
2021-11-20T20:16:18.523216 image/svg+xml Matplotlib v3.3.3, https://matplotlib.org/
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pp.iplot2html(pp.sio.iplot_bz([[1,0,0],[0,1,0],[0,0,1]]))
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pp.sio.splot_bz(vr.data.poscar.basis,colormap=None,color='w').set_axis_off()
2021-11-20T20:18:45.725823 image/svg+xml Matplotlib v3.3.3, https://matplotlib.org/
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pp.sio.splot_lat(vr.data.poscar,plane='xy',tol=2)
<AxesSubplot:xlabel='x', ylabel='y'>
2021-11-20T20:19:04.853744 image/svg+xml Matplotlib v3.3.3, https://matplotlib.org/
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App for working in big project

Try

import pivotpy as pp 
app = pp.VasprunApp()
#Tweak Global settings accross all project.
app.cache_data = False #Or True 
app.ibands_kws['mode'] = 'bands' #Or 'marker'
app.evr_kws['try_pwsh'] = False #Or True for loading from Powershell. 
#Display App 
app.show() #And interact with GUI to work for you

May not work in Google Colab Online.