structure visualization in py4vasp

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katsuaki_tanabe1
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structure visualization in py4vasp

#1 Post by katsuaki_tanabe1 » Mon May 22, 2023 5:30 am

Dear VASP users,

I am running VASP 6.3.2 on Ubuntu 22.04.1.
In carrying out the tutorial: 5.3 Calculation in tutorials/latest/molecules/part2/
for the part:
import py4vasp
my_calc = py4vasp.Calculation.from_path("./e05_CO-bond")
my_calc.structure[:].plot(),
as I input these codes on Anaconda Powershell Prompt, with an expectation to see a structure view,
I only obtained a message:
<py4vasp._data.viewer3d.Viewer3d object at 0x0000024FFDB8D5D0>

Could anybody let me know what to do to display a view?

Thanks,
-Katsuaki
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martin.schlipf
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Re: structure visualization in py4vasp

#2 Post by martin.schlipf » Mon May 22, 2023 10:21 am

The structure viewer needs a browser to work. Either run the same code in a Jupyter notebook or use ipython instead of python.

katsuaki_tanabe1
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Re: structure visualization in py4vasp

#3 Post by katsuaki_tanabe1 » Tue May 23, 2023 6:03 am

Thank you Martin! By using Jupyter Notebook, the structure view has successfully been displayed. -Katsuaki

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