[Paraview] Molecular dynamics from lammps

Oksana oksana_golovnya at mail.ru
Tue Jul 7 10:39:59 EDT 2015


Dear community ,
I am trying to visualize array of atoms with their displacement vectors in Paraview. The structure is complicated and cannot be represented by StructuredGrid. The goal is to have slices with surface vectors (displacement) and atoms. I have tried two ways:
1.         Generate a vtk file. In this case I have a polydata of points and vectors, but I cannot use SurfaceVectors filter in this dataset. I tried Delaunay3D filter to produce a grid, but it produces too many cells, which do not represent my structure properly, and instead of one vector per atom I have some strange distribution.
2.         Load lammps dump file. In this case after MergeBlocks and Calculator filters I have unstructured grid with points and vectors, but cannot use this vectors in Slice->SurfaceVector pipeline anyway. SurfaceVectors are inactive.
I understand that in the first case I need to generate a grid with each atom inside one cell. However, I do not know how to do it. And in the second I do not understand why SurfaceVectors are inactive on the unstructured grid? I would appreciate any help, explanation or reference how to do it right.
Thanks.
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