py311-gsd

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.