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Bond angle distribution plot
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Topic: Bond angle distribution plot (Read 5242 times)
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HIMANI
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Bond angle distribution plot
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on:
March 30, 2015, 12:10 »
How to get bond angle distribution plot as it is shown in the following paper fig. 3.
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HIMANI
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Re: Bond angle distribution plot
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Reply #1 on:
April 1, 2015, 06:08 »
please reply........
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Julian Schneider
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Re: Bond angle distribution plot
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Reply #2 on:
April 1, 2015, 09:04 »
There will be an bond angle analysis in the MD-Analyzer plugin in ATK-2015, which makes it possible to obtain such a plot with few clicks.
In ATK-2014, it is unfortunately only possible by writing a python script .
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HIMANI
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Re: Bond angle distribution plot
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Reply #3 on:
April 8, 2015, 07:21 »
can you provide me the script or else provide me with necessary information how can I write it?
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zh
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Re: Bond angle distribution plot
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Reply #4 on:
April 8, 2015, 09:58 »
Please refer to the following webpages:
1. Bond-angle Analysis (w/ NiTi order param also): AngleDist_v1.1.5.py written by Stefan Bringuier
http://www.u.arizona.edu/~stefanb/code.html
2. Atomic structure analysis algorithms by A. Stukowski:
http://asa.ovito.org/
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HIMANI
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Re: Bond angle distribution plot
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Reply #5 on:
April 16, 2015, 12:07 »
What changes I need to do in the python code you have given? As I am not familiar to the python language I am not able to do the changes. I want to generate the bond angle plot for amorphous Al2O3. Please help me.!!!!
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Bond angle distribution plot