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Temp. Contour

Khaled Mohamed
Khaled Mohamed
1 Post
November 20, 2020, 10:24 am

Hello

I'm trying to interpolate the per-atom kinetic energy values to obtain a temperature contour. I follow the following relation:

KE = 1.5*k*N*T

where KE is the sum of the kinetic energy for a group of atoms and k is a constant. I tried to use the compute property modifier to achieve the temp. contour by summing the per atom ke (c_keatm) over a certain cutoff radius. However, I'm stuck at getting the temp contour. I used another compute property modifier to apply the above formula but I get completely wrong values. Any help is appreciated.

Thank you

#1