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How to adjust Simulation Cell center when export the file

Hello everyone,

I wrote a program to create a new property and add it to a new imd file. But when I exporting the new imd file, the simulation cell's center always set at (0,0,0) where it is at (20 ,20, 20) before.

How did I do to set a correct simulation center when I export file.

Best regards,
Eason

Dear Eason,

Could you please confirm that you import an IMD file into OVITO, then export the data as another IMD file, and then open the new file in OVITO to view it? Or are there any other file formats involved in the process?

Since IMD files never carry information about the positioning of the cell (only its size), OVITO's file reader and file writer for the IMD format both assume that the corner of the simulation cell is located at (0,0,0). Thus, when opening any IMD file in OVITO, the cell should never be centered around (0,0,0).

Did you already check the file headers of the original and the new IMD file in a text editor? Both should show the same cell information before and after export from OVITO.

Dear Alexander,

Sorry. That's my mistake, I input the dump file and then I export the IMD file. Have any format can record the center position of the export file?

Best regards,
Eason.

Eason,

The formats LAMMPS dump, LAMMPS data, NetCDF/AMBER, and XYZ ("extended" variant, latest OVITO 3.0.0 only) all store the translation vector of the simulation box. Thus, if you reimport a dataset exported to one of these formats, the simulation box will appear in the original position.