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Messages - Qriver

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1
Support Forum / Re: How ger the disorientation angle of every BCC atoms?
« on: August 06, 2018, 04:09:52 PM »
Hi Alexander,

Thank you very much!

Shuai

2
Support Forum / How ger the disorientation angle of every BCC atoms?
« on: August 03, 2018, 05:01:33 PM »
Hi everyone,
For the cluster analysis, if the distance between two two atoms is less than cutoff radius, the two atoms will belong to one cluster. But one cluster may have several grains, I want to get the disorientation angle of every BCC atoms to identify different grains in one cluster.
But how can I do?
Thank you!
Shuai

3
Hi Constanze,
Thank you for your help!
Shuai

4
Hi Constanze,

Can CNA identify all BCC atoms? if not, I want to get the BCC atoms with python code which will be identified to be non-BCC atoms by CNA.

Shuai

5
Support Forum / Re: Question about output.particle_properties.*.array
« on: July 01, 2018, 09:13:32 PM »
Hi Alexander,

Thank you for your help!

Shuai

6
Support Forum / Question about output.particle_properties.*.array
« on: June 30, 2018, 07:45:13 PM »
Hi every one,
In my dump file, there is a particle property called c_pepa, I want to analyze this data, but the wrong is:  AttributeError: DataCollection does not contain the particle property 'c_pepa'.
How can I do with this wrong?
Thank you!
Shuai


7
Hi Constanze,

Thank you very much for your help.
I have a question about the method, do you know how to leave the outermost crystal atoms with code?
Thank you!

Shuai

8
Hi Constanze,
My first question is if the common neighbor analysis is enough precise, e.g. this method will identify the outermost atom of the crystal cluster to be non-crystal atoms.
Thank You!
Shuai

9
Hi, every one

I have two questions:
1. if the common neighbor analysis will have deviation on the structure identification?
2. Why the method of cluster analysis will identify one atom as a cluster?

Thank you!
Shuai

10
Support Forum / Re: Question about Voronoi calculation
« on: June 09, 2018, 04:37:50 AM »
Hi Alex,
You are right, thank you very much!
Shuai

11
Support Forum / Re: The ImportError: cannot import name 'DataObject'
« on: June 08, 2018, 07:21:14 PM »
Thank you very much!

12
Support Forum / Question about Voronoi calculation
« on: June 08, 2018, 07:19:57 PM »
Hi eveyone,
I used the code about computing Voronoi indices in the Ovito website, and the code is shown below. i do not know it said:"AttributeError: 'Particles.VoronoiAnalysisModifier' object has no attribute'max_face_order'"
Thanks!
Shuai

13
Support Forum / The ImportError: cannot import name 'DataObject'
« on: June 07, 2018, 10:41:48 PM »
Hi everyone,
When I run the Ovito coding, the error: cannot import name 'DataObject' always exists.
How can I do about it.
Thanks!
Shuai

14
Support Forum / Can the ovitos.exe use the parallel computing?
« on: May 24, 2018, 08:16:30 PM »
Hi every one,

I want to elevate the calculation speed, so the ovitos.exe can use the parallel computing?
Thank you!

Shuai

15
Hi Alex,

Yes, I know how to do it now. With the cutoff radius and the neighbor atoms, I can get the RDF.
Thanks

SG


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