Change Log

GSD releases follow semantic versioning.


v2.6.0 (2022-08-19)


  • Raise an error when writing a frame with duplicate types.

v2.5.3 (2022-06-22)


  • Support Python >=3.6.

v2.5.2 (2022-04-15)


  • Correctly handle non-ASCII characters on Windows.

  • Document that the fname argument to gsd_ C API functions is UTF-8 encoded.

v2.5.1 (2021-11-17)


  • Support for Python 3.10.

  • Support for clang 13.

v2.5.0 (2021-10-13)


  • Improved documentation.


  • HOOMDTrajectory.read_frame - use indexing (trajectory[index]) to access frames from a trajectory.

v2.4.2 (2021-04-14)


  • MacOS and Windows wheels on PyPI.


  • Documented array shapes for angles, dihedrals, and impropers.

v2.4.1 (2021-03-11)


  • Support macos-arm64.


  • Stop testing with clang 4-5, gcc 4.8-6.

v2.4.0 (2020-11-11)


  • Set gsd.hoomd.ConfigurationData.dimensions default based on box’s \(L_z\) value.


  • Failure in when run by a user and GSD was installed by root.

v2.3.0 (2020-10-30)


  • Support clang 11.

  • Support Python 3.9.


  • Install unit tests with the Python package.


  • Compile error on macOS 10.15.

v2.2.0 (2020-08-05)


  • Command line convenience interface for opening a GSD file.

v2.1.2 (2020-06-26)


  • Adding missing close method to HOOMDTrajectory.

  • Documentation improvements.

v2.1.1 (2020-04-20)


  • List defaults in documentation.

v2.1.0 (2020-02-27)


  • Shape specification for sphere unions.

v2.0.0 (2020-02-03)


  • This release introduces a new file storage format.

  • GSD >= 2.0 can read and write to files created by GSD 1.x.

  • Files created or upgraded by GSD >= 2.0 can not be opened by GSD < 1.x.


  • The upgrade method converts a GSD 1.0 file to a GSD 2.0 file in place.

  • Support arbitrarily long chunk names (only in GSD 2.0 files).


  • accepts None for application, schema, and schema_version when opening files for reading.

  • Improve read latency when accessing files with thousands of chunk names in a frame (only for GSD 2.0 files).

  • Buffer small writes to improve write performance.

  • Improve performance and reduce memory usage in read/write modes (‘rb+’, ‘wb+’ and (‘xb+’).

  • C API: functions return error codes from the gsd_error enum. v2.x integer error codes differ from v1.x, use the enum to check. For example: if (retval == GSD_ERROR_IO).

  • Python, Cython, and C code must follow strict style guidelines.


  • gsd.fl.create - use

  • gsd.hoomd.create - use

  • GSDFile v1.0 compatibility mode - use



  • Allow more than 127 data chunk names in a single GSD file.


v1.10.0 (2019-11-26)

  • Improve performance of first frame write.

  • Allow pickling of GSD file handles opened in read only mode.

  • Removed Cython-generated code from repository. fl.pyx will be cythonized during installation.

v1.9.3 (2019-10-04)

  • Fixed preprocessor directive affecting Windows builds using

  • Documentation updates

v1.9.2 (2019-10-01)

  • Support chunk sizes larger than 2GiB

v1.9.1 (2019-09-23)

  • Support writing chunks wider than 255 from Python.

v1.9.0 (2019-09-18)

  • File API: Add find_matching_chunk_names()

  • HOOMD schema 1.4: Add user defined logged data.

  • HOOMD schema 1.4: Add type_shapes specification.

  • pytest >= 3.9.0 is required to run unit tests.

  • and accept objects implementing os.PathLike.

  • Report an error when attempting to write a chunk that fails to allocate a name.

  • Reduce virtual memory usage in rb and wb open modes.

  • Additional checks for corrupt GSD files on open.

  • Synchronize after expanding file index.

v1.8.1 (2019-08-19)

  • Correctly raise IndexError when attempting to read frames before the first frame.

  • Raise RuntimeError when importing gsd in unsupported Python versions.

v1.8.0 (2019-08-05)

  • Slicing a HOOMDTrajectory object returns a view that can be used to directly select frames from a subset or sliced again.

  • raise IndexError when attempting to read frames before the first frame.

  • Dropped support for Python 2.

v1.7.0 (2019-04-30)

  • Add hpmc/sphere/orientable to HOOMD schema.

  • HOOMD schema 1.3

v1.6.2 (2019-04-16)

  • PyPI binary wheels now support numpy>=1.9.3,<2

v1.6.1 (2019-03-05)

  • Documentation updates

v1.6.0 (2018-12-20)

  • The length of sliced HOOMDTrajectory objects can be determined with the built-in len() function.

v1.5.5 (2018-11-28)

  • Silence numpy deprecation warnings

v1.5.4 (2018-10-04)

  • Add pyproject.toml file that defines numpy as a proper build dependency (requires pip >= 10)

  • Reorganize documentation

v1.5.3 (2018-05-22)

  • Revert changes in v1.5.2 - these do not work in most circumstances.

  • Include sys/stat.h on all architectures.

v1.5.2 (2018-04-04)

  • Close file handle on errors in gsd_open.

  • Always close file handle in gsd_close.

  • now correctly pulls in the numpy dependency.

v1.5.1 (2018-02-26)

  • Documentation fixes.

v1.5.0 (2018-01-18)

  • Read and write HPMC shape state data.

v1.4.0 (2017-12-04)

  • Support reading and writing chunks with 0 length. No schema changes are necessary to support this.

v1.3.0 (2017-11-17)

  • Document state entries in the HOOMD schema.

  • No changes to the gsd format or reader code in v1.3.

v1.2.0 (2017-02-21)

  • Add method which can create and open hoomd gsd files.

  • Add method which can create and open gsd files.

  • The previous create/class GSDFile instantiation is still supported for backward compatibility.

v1.1.0 (2016-10-04)

  • Add special pairs section pairs/ to HOOMD schema.

  • HOOMD schema version is now 1.1.

v1.0.1 (2016-06-15)

  • Fix compile error on more strict POSIX systems.

v1.0.0 (2016-05-24)

Initial release.