v0.5.2

• Improvements:

  • Added broaden method to Spectrum1DCollection

• Changes:

  • The return_mode_widths argument in calculate_qpoint_phonon_modes
    has been deprecated in favour of return_mode_gradients. The mode
    widths can still be obtained from the mode gradients with
    util.mode_gradients_to_widths

• Bug fixes:

  • Fixed memory leak when using the C extension and making multiple calls to
    calculate_qpoint_phonon_modes/frequencies
  • Fixed bug which resulted in incorrect energy bins being generated
    in euphonic-powder-map if units other than meV are used and
    --e-max and --e-min aren't specified
  • Use correct number of energy bins in euphonic-intensity-map,
    euphonic-powder-map and euphonic-dos. Previously only
    ebins - 1 bins were generated