Is it possible to calculate and export properties for only selected frames, not just the first frame or all frames? Thank you!
OVITO’s file export dialog already provides options to export a user-defined range of trajectory frames (from/to) and only every n-th frame from that range (see screenshot). Is this not what you are asking for? Do you rather need to export an irregular sequence of frames?
Thank you, Dr. Stukowski, for your response. I am aware of this function, and what I would like to know is whether it is possible to output irregular patterns, especially in the Ovito python module.
In a Python script you would have to make multiple calls to the export_file() function, one for each frame. For example:
for i in [0, 10, 100, 500]: export_file(pipeline, "frame%i.xyz" % i, "xyz", frame=i)
However, this will yield one separate output file for each exported frame. There is no way to have OVITO write them all into a single file back-to-back.
But you could take care of merging the files yourself. See here, for example.
Thank you, Dr.Stukowski. This method has been very helpful.