Hello,
I am trying to compute and visualize the temperature during an impact simulation using OVITOs compute property (My property). I am using the following expression in the compute property: ((ParticleType==1)VelocityMagnitude^2)/3k.
Is there a way to get the temperature of all three particle types individually? At the moment the temperature seen in OVITO is miles from the actual temperature during the simulation. (I am using OVITO Basic)
Thanks,
Anastasis
Hi,
Yes, you can use the Compute Property modifier option “Compute only for selected elements”.
Thank you!
How would I include all the particle masses in the “Compute Property → Expression” and compute each type temperature individually? At the moment even when i choose compute for selected elements it wont show the temperature for all atoms.
In OVITO Basic, you would need to use several instances of Select Type and Compute Property Modifiers (w. option Compute only for selected elements) to generate and fill a new particle property “Mass” which can then be referenced in a subsequent Compute Property Modifiers.
Please note that you can use the Compute Property Modifier to calculate per-particle values (and involve neighboring particles within a spherical volume around each particle). To compute the average or sum of selected values in a particle property array, you’ll need to use a Python Script Modifier instead, see e.g.,
Compute property — OVITO User Manual 3.10.3 documentation and
User-defined modifiers — OVITO Python Reference 3.10.3 documentation.
