v1.1.0

• New Features:

  • CoherentCrystal can now also be created with a
    euphonic.brille.BrilleInterpolator object

• Dependency changes:

  • Euphonic version dependency increased from >= 0.6.0 to >= 1.2.0

v1.0.0

• Changes:

  • n_threads is now explicitly named in the CoherentCrystal constructor arguments
    rather than being part of **kwargs
  • psutil has been added as a dependency

• Improvements:

  • If chunk hasn't been provided to CoherentCrystal, a recommended chunk
    size will now be calculated and set based on available memory.

v0.5.2

• Improvements:

  • Improve reliability by testing on oldest and newest supported Euphonic versions

v0.5.1

• Bug fixes:

  • Use of temperature=0 will now calculate the 0K Debye-Waller and Bose
    population factors - previously these temperature dependent effects
    were not calculated at 0K

v0.5.0

• Improvements:

  • There is a new frequency_scale=1.0 argument to horace_disp which
    allows the output frequencies to be scaled

• Breaking changes:

  • The pars=[] argument to horace_disp has been changed to
    intensity_scale=1.0

v0.4.0

• Dependency changes:

  • Euphonic version dependency increased from >= 0.5.0 to >= 0.6.0

• Breaking changes:

  • The default units of StructureFactor.structure_factors in Euphonic have been
    changed from angstrom**2 per unit cell to mbarn per sample atom, and are
    now in absolute units including a previously omitted 1/2 factor. So the structure
    factors produced by CoherentCrystal.horace_disp have increased by a factor of
    1e11/(2*N_atoms)

• Other changes:

  • The eta_scale keyword argument to CoherentCrystal has been deprecated,
    dipole_parameter should be used instead
  • A ValueError will now be raised if an unrecognised keyword argument is passed
    to CoherentCrystal

v0.3.0

• Dependency changes:

  • Euphonic version dependency increased from >=0.4.0 to >=0.5.0

• Breaking changes:

  • fall_back_on_python argument to horace_disp has been removed as this has
    been removed in Euphonic

Python only update

Update to do most necessary processing in Python.
The Matlab code remains in the original repository.