Author Topic: Reading data file without x y z in ITEM line.  (Read 50 times)

lx_pico

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Reading data file without x y z in ITEM line.
« on: November 22, 2017, 12:36:03 PM »
Hi Alex,
    I averaged the atom positions by 'fix ave/atom' command in LAMMPS to eliminate the dynamic fluctuation, and got output files with ITEM line like:
ITEM: ATOMS id type f_ave[1] f_ave[2] f_ave[3] c_eng

where f_ave[1 2 3] are the averaged atoms position in three dimensions. But Ovito can't read this because it seems only 'x y z' can be mapped to the atoms position.  Of course i can use a script to rewrite this line for all files, but that's not so convenient. It's there any more simple way to make Ovito read this kind of files?

Best regards,
Zhu
« Last Edit: November 22, 2017, 12:38:59 PM by lx_pico »

Alexander Stukowski

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Re: Reading data file without x y z in ITEM line.
« Reply #1 on: November 22, 2017, 02:08:36 PM »
Hi Zhu,

Yes, OVITO will first complain about the missing x y z columns in the dump file, but after that you can specify a custom mapping of file columns to the xyz position property. Press the "Edit column mapping" button as shown in the attached screenshot. Then make sure that the f_ave[1/2/3] file columns are mapped to the Posiition.X/Y/Z particle property.

-Alex