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Indirect Geometry Changes¶

Algorithms ¶

<prefix>-phonopy.yml and <prefix>-force_constants.hdf5 files from janus-core are now supported as input to Abins/Abins2D Algorithms. Use the FORCE_CONSTANTS “AbInitioProgram” for regular phonopy.yaml files.
Four output “OutputSusceptibility” file options (OutputSusceptibilityFrequencyNXS, OutputSusceptibilityEnergyNXS, OutputSusceptibilityFrequencyASCII, OutputSusceptibilityEnergyASCII) have been added in BASISReduction v1, instead of one.
Support is added to Abins/Abins2D to import .mol data files for Molden. These can be output by CP2K calculations, but do not include mass/isotope information.

Corrected LoadEMU to be able to support the new chopper installed July-2025.
Euphonic dependency is updated to 1.4.5. Notably, this includes a bugfix when importing force constants with dipole-dipole corrections from Phonopy: if the supercell matrix was non-symmetric, the long-range subtraction was done incorrectly. Calculations with “diagonal” supercells (e.g. 2×3×4) are unaffected, and primitive-FCC or primitive-BCC transformations should also use a symmetric matrix.