GSD/HOOMD file exporter

Floating-point precision

The exporter can write floating-point data in single or double precision. Double-precision data chunks are only permitted by version 2.0 of the HOOMD schema, which was introduced with GSD 5.0. OVITO therefore declares schema version 2.0 in double-precision files and version 1.4 in single-precision files. Software based on GSD 4.x or older can only read the single-precision files.

Python parameters

If you export a scene to the GSD/HOOMD file format with the export_file() Python function, the following specific keyword parameter is available:

export_file(pipeline, file, "gsd/hoomd", dtype=numpy.float32, ...)

Parameters:

dtype (numpy.typing.DTypeLike) – The numpy data type used to control the precision of the exported data. Can be numpy.float32 or numpy.float64. The default value is numpy.float32. Double precision requires version 2.0 of the HOOMD schema (see above).