v0.7.0

What's Changed

• Add simple progress bar to simulations by @viljarjf in #233
• Bugfix: Small Bugfix for polar flatten simulation by @CSSFrancis in #238
• Add option to have spot centers off pixel centers by @viljarjf in #235

New Contributors

• @viljarjf made their first contribution in #233

Full Changelog: v0.6.1...v0.7.0

v0.6.1

diffsims 0.6.1 is a patch release of diffsims, an open source Python library focussed on the simulation of diffraction patterns.

See below, the changelog or the GitHub changelog for all updates from the previous release.

Fixed

• Numpy 2.0.0 compatibility in (#228).

diffsims v0.6.0

diffsims 0.6.0 is a minor release of diffsims, an open source Python library focussed on the simulation of diffraction patterns.

See below, the changelog or the GitHub changelog for all updates from the previous release.

Added

• Explicit support for Python 3.11.
• pre-commit for code formatting.
• Deprecation tools for deprecating functions, parameters, methods, and properties.

Changed

• Documentation theme from Furo to the PyData-Sphinx-Theme.

Deprecated

• get_hkl(), get_highest_hkl(), and get_equivalent_hkl() methods in the
  crystallography module. Please use the following corresponding methods in the
  ReciprocalLatticeVector class instead: from_highest_hkl(),
  from_min_dspacing(), and symmetrise().

Removed

• Support for Python 3.6 and Python 3.7, leaving 3.8 as the oldest supported version.
• ReciprocalLatticePoint class; Use the ReciprocalLatticeVector class instead,
  which is an improved replacement.
• StructureLibrary.from_crystal_systems() class method, which previously raised a
  NotImplementedError, but now will throw an AttributeError instead.

diffsims v0.6rc1

diffsims 0.6rc1 is a minor release of diffsims, an open source Python library focussed on the simulation of diffraction patterns.

See below, the changelog or the GitHub changelog for all updates from the previous release.

Added

• Explicit support for Python 3.11.
• pre-commit for code formatting.
• Deprecation tools for deprecating functions, parameters, methods, and properties.

Changed

• Documentation theme from Furo to the PyData-Sphinx-Theme.

Deprecated

• get_hkl(), get_highest_hkl(), and get_equivalent_hkl() methods in the
  crystallography module. Please use the following corresponding methods in the
  ReciprocalLatticeVector class instead: from_highest_hkl(),
  from_min_dspacing(), and symmetrise().

Removed

• Support for Python 3.6 and Python 3.7, leaving 3.8 as the oldest supported version.
• ReciprocalLatticePoint class; Use the ReciprocalLatticeVector class instead,
  which is an improved replacement.
• StructureLibrary.from_crystal_systems() class method, which previously raised a
  NotImplementedError, but now will throw an AttributeError instead.

diffsims 0.5.2

diffsims 0.5.2 is a patch release of diffsims, an open source Python library focussed on the simulation of diffraction patterns.

See below, the changelog or the GitHub changelog for all updates from the previous release.

Fixed

• Always use no-python mode to silence Numba deprecation warnings.

diffsims 0.5.1

diffsims 0.5.1 is a patch release of diffsims, an open source Python library focussed on the simulation of diffraction patterns.

This release fixes a bug in calculation of allowed ReciprocalLatticeVector and deprecates support for Python 3.6.

See below, the changelog or the GitHub changelog for all updates from the previous release.

Fixed

• ReciprocalLatticeVector.allowed rounds indices (hkl) internally to ensure correct selection of which vectors are allowed or not given a lattice centering. Integer indices are assumed.

Deprecated

• Support for Python 3.6 is deprecated and will be removed in v0.6.

diffsims 0.5.0

diffsims 0.5.0 is a minor release of diffsims, an open source Python library focussed on the simulation of diffraction patterns.

This release adds and changes a few things from the previous release, one of them a big change:

• A new class ReciprocalLatticeVector for generation, handling and plotting of sets of reciprocal lattice vectors. This class replaces ReciprocalLatticePoint, which is deprecated and will be removed in version 0.6.
• Drawing Miller indices in plots of diffraction patterns
• Possibility to ignore atomic scattering when simulating spot patterns
• Change of the hexagonal fundamental sector on the unit sphere from 6/m to 6/mmm when generating rotation lists

See the changelog or v0.4.2...v0.5.0 for a complete list of changes.

diffsims 0.5.0rc1

diffsims 0.5.0 is a minor release of diffsims, an open source Python library focussed on the simulation of diffraction patterns.

This release adds and changes only a few things from the previous release:

• Drawing Miller indices in plots of diffraction patterns
• Possibility to ignore atomic scattering when simulating spot patterns
• Change of the hexagonal fundamental sector on the unit sphere from 6/m to 6/mmm when generating rotation lists

See the changelog or v0.4.2...v0.5.0rc1 for a complete list of changes.

diffsims 0.4.2

diffsims is an open source library focussed on the simulation of diffraction patterns.

This patch release fixes bugs with the simulation of precession electron diffraction patterns and tests the code against python version 3.9. For further details, see the CHANGELOG.

It is safe to upgrade from other versions in the 0.4.x series to this version as all of the changes implemented are non-breaking.

diffsims 0.4.1

diffsims is an open source library focussed on the simulation of diffraction patterns. This patch release fixes a bug with the generation of meshes, you can find details in the CHANGELOG. Please be aware that it is safe to upgrade from version 0.4.0 to this version as all of the changes are non-breaking.