Hi, I am rotating a system by using the rotation matrix in Affine Tranformation. Everything looks perfect on screen but when I export the file with the expectation of saving the updated(rotated) coordinates of the system, it gives the original system back in that exported file. Is it a bug, or I am doing it incorrectly?
Thank you.
Hi,
The export results will depend on the file format you’ve picked. If you export to any LAMMPS format (dump or data), OVITO will rotate the simulation cell back to an axis-aligned configuration. That’s because the LAMMPS simulation code (and its file formats) are subject to certain restrictions of the cell vectors. The first cell vector, for example, must always be aligned with the x-axis of the simulation coordinate system, see here. In order to produce a valid output file, OVITO will perform an automatic transformation of the simulation cell and the contained atoms during export if necessary. That transformation might exactly reverse the rotation you have previously applied using the Affine Transformation modifier.