python-gsd

GSD (General Simulation Data) is a file format specification and a library to read and write it. The package also contains a python module that reads and writes hoomd schema gsd files with an easy to use syntax.

  • Efficiently store many frames of data from simulation runs.
  • High performance file read and write.
  • Support arbitrary chunks of data in each frame (position, orientation, type, etc...).
  • Append frames to an existing file with a monotonically increasing frame number.
  • Resilient to job kills.
  • Variable number of named chunks in each frame.
  • Variable size of chunks in each frame.
  • Each chunk identifies data type.
  • Common use cases: NxM arrays in double, float, int, char types.
  • Generic use case: binary blob of N bytes.
  • Easy to integrate into other tools with python, or a C API (< 1k lines).
  • Fast random access to frames.