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Py-gsd

May 26, 2018

GSD (General Simulation Data) file format for Python

A library to read and write GSD General Simulation Data file format.

The package also contains a python module that reads and writes hoomd schema gsd files with an easy to use syntax.

Features

  • 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.

WWW https//bitbucket.org/glotzer/gsd