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Messages - Qriver

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1
Support Forum / What is the defination of orientation.x, orientation.y...
« on: September 11, 2018, 04:38:51 AM »
Dear all,
I have checked the paper of Peter Mahler Larsen, but I did not see the defination of orientation.x, orientation.y, orientation.z and orientation.w calculated by PTM, can you tell me the difference of these four parameters?
Thank you!
Shuai

2
Dear  Constanze,
Thank you!
Shuai

3
Dear all,
I want to color atoms with different lattice orientation, and I know the code in the website, but I do not know how to use it.
Example M3: Color mapping to visualize local lattice orientation.
So what can I do with the code.
Thank you
Shuai

4
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

5
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

6
Hi Constanze,
Thank you for your help!
Shuai

7
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

8
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

9
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


10
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

11
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

12
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

13
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

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

15
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

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