Author Topic: Energy Difference  (Read 118 times)

samaneh

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Energy Difference
« on: May 03, 2018, 04:34:45 PM »
Hi everybody

I am quite new in ovito modification tool. I really appreciate if you give me a hint.

What I need to do is to visualize the changes in Potential energy for each atom in each step with respect to a reference step (for example step number  zero). Do you have any idea how can I do it?

Thanks
Samaneh

Alexander Stukowski

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Re: Energy Difference
« Reply #1 on: May 03, 2018, 05:28:42 PM »
Dear Samaneh,

You will need to use two modifiers for that: Freeze Property and Compute property, in that order.

Please read the docs of the Freeze Property modifier ("Example 2" in particular), where you will find more hints how to obtain the potential energy change for each atom.

-Alex