v1.2.1

• Improvements

  • Added "prefer_non_loto" option to Castep .phonon file
    importers. When this is enabled, a block of q-points are
    encountered with splitting directions, and one q-point does not
    have a splitting direction, the data at this "exact" q-point is
    preferred and the other weights in the group are set to zero.

    This provides the intended behaviour of the Abins Castep parser
    and should give a reasonable result for Gamma-point only Castep
    calculations.

    The option is disabled by default, so existing scripts will not be
    affected.

• Bug Fixes:

  • Allow color to be passed as an extra kwarg to plot_1d and
    plot_1d_to_axis. Previously this caused a TypeError.
  • Fix bug where Py_None was not incremented before returning from
    calculate_phonons() in the C-extension causing a deallocation crash
  • Support phonopy.yaml files from Phonopy versions >= 1.18, which
    have moved the data relating to dipole-dipole
    corrections. (i.e. Born effective charges, static dielectric
    tensor and a related unit conversion factor.)

• Maintenance:

  • A deprecation in Numpy 1.25, which indirectly caused a test failure, has been addressed.