Garnett

Latest version: v0.7.1

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0.7.1

---------------------

Fixed
+++++
- Corrected package dependencies.

0.7

===========

0.7.0

---------------------

Added
+++++
- Added ability to read ``_space_group_symop_operation_xyz`` keys in CIF files.
- Added ``to_hoomd_snapshot`` method to ``Frame`` objects. Replaces the deprecated ``make_snapshot`` and ``copyto_snapshot`` methods.
- The CIF reader supports a broader range of ``_atom_site_label`` values that match `component 0 as specified here <https://www.iucr.org/__data/iucr/cif/standard/cifstd15.html>`_.
- Enabled ``type_shape`` for ``SphereUnionShape`` class.
- Added ability to read getar files with dynamic properties (such as ``type_shapes.json``) stored at a different period than positions.
- Added ``box`` property to ``Trajectory`` objects.
- Added ``N`` property to ``Frame`` objects.

Changed
+++++++
- Updated GSD reader to use the GSD v2 API.
- Changed behavior of ``types``, ``typeid``, ``type_shapes`` to match HOOMD conventions.
- Shapes can still be read from GSD via HOOMD-HPMC state but shapes are always written to ``type_shapes`` instead of the HPMC state.
- ``PosFileWriter`` requires the number of ``type_shapes`` to match the number of ``types``.

Fixed
+++++
- Fixed finding nearest image when applying space group operations to CIF files. The meaning of the ``tolerance`` parameter is also adjusted to be absolute (in units of fractional coordinates), rather than relative.

Deprecated
++++++++++
- The following ``Frame`` and ``Trajectory`` attributes have been deprecated:

- ``positions`` (now ``position``)
- ``orientations`` (now ``orientation``)
- ``velocities`` (now ``velocity``)
- ``shapedef`` dict has been replaced by ``type_shapes`` list. Until this feature is removed, altering shape definitions is only supported if the entire dictionary is set at once.

- The following ``Frame`` methods have been deprecated:

- ``make_snapshot`` (use ``to_hoomd_snapshot()``)
- ``copyto_snapshot`` (use ``to_hoomd_snapshot(snap)``

- The following ``trajectory`` module-level functions have been deprecated:

- ``make_hoomd_blue_snapshot`` (use ``frame.to_hoomd_snapshot()``)
- ``copyfrom_hoomd_blue_snapshot`` (use ``Frame.from_hoomd_snapshot(snap)``)
- ``copyto_hoomd_blue_snapshot`` (use ``frame.to_hoomd_snapshot(snap)``)

Removed
+++++++
- The ``Frame.frame_data`` property and ``FrameData`` class have been removed from the public API.

0.6.1

---------------------

Fixed
+++++
- Fix installation instructions with `pip`.
- Removed unnecessary extra headers from changelog.

0.6

===========

0.6.0

---------------------

Added
+++++
- Added ``showEdges`` to skipped fields when reading POS files.
- Added ``to_plato_scene()`` method to quickly visualize ``Frame`` objects.
- Added support for the `GSD shape visualization specification <https://gsd.readthedocs.io/en/stable/shapes.html>`_.

Changed
+++++++
- GSD and GTAR writers now output shape information that adheres to the GSD shape visualization specification.

Removed
+++++++
- Dropped Python 2 support.

Fixed
+++++
- Fix minor bug in ``PosFileWriter`` where default shape definition was incorrectly written.

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