Author Topic: wrong atom type  (Read 214 times)

Daniel

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wrong atom type
« on: February 19, 2019, 12:42:10 PM »
Hello,
I noticed that in ovito sometimes atom types are not indicated as in my xyz files if new atom types appear on new frames. I attach a small test xyz file where the carbon atom in the second frame is shown as boron in ovito. I do not understand why, is there a mistake in my xyz file? I am using ovito 2.9.0 on debian 9 operating system.
Have a nice day
« Last Edit: February 19, 2019, 01:01:46 PM by Daniel »

Alexander Stukowski

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Re: wrong atom type
« Reply #1 on: February 19, 2019, 07:06:41 PM »
Hi,

Yeah, the old Ovito version had problems reading XYZ files with varying sets of elements. This bug has been fixed, and the current development release 3.0.0-dev341 of Ovito handles these files much better. Please upgrade to the new program version.

See also the old bug report: https://gitlab.com/stuko/ovito/issues/137

-Alex