Author Topic: Exporting numerical data from atomic strain modification  (Read 78 times)

sabila

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Exporting numerical data from atomic strain modification
« on: June 19, 2019, 06:43:42 PM »
Dear Concern,

I want to export quantitative/numerical data from atomic strain modification with respect to frame or times for further use. Can you please tell me how to do it?
Thank you.


Regards,
Sabila

Alexander Stukowski

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Re: Exporting numerical data from atomic strain modification
« Reply #1 on: June 19, 2019, 07:13:43 PM »
Hi,

Can you specify more precisely what you would like to obtain? Do you want to export the computed atomic strain values for all atoms and for all frames of a simulation trajectory to a series of output files? For this, you can use Ovito's file export function (File menu -> Export file), which lets you write the values of a particle property such as "Shear Strain" to an output file.

-Alex

sabila

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Re: Exporting numerical data from atomic strain modification
« Reply #2 on: June 22, 2019, 11:39:35 PM »
Dear Alex,

Thanks for your reply.
Yes, I want to export output tensor values computed using atomic strain modification for all atoms and for all frames of a simulation trajectory to a series of output files. I have tried exporting files using 'Calculation Results text file' as file type, but this doesn't export any output values except frame no. and timestep.

-Sabila

Alexander Stukowski

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Re: Exporting numerical data from atomic strain modification
« Reply #3 on: June 23, 2019, 02:11:07 AM »
The 'Calculation Results text file' export format is for outputting global quantities only, not per-atom information. Please pick an atomistic file format, e.g. XYZ, to export per-atom data.