Dynaphopy

Latest version: v1.17.16

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1.7

Now DynaPhoPy uses crystallographic symmetry to average equivalent q-points.
Degenerated phonons within a brach are averaged as well.
Use of symmetry can be deactivated by --no_symmetry option
Implemented calculation of anisotropic displacements parameters (--adp option)
Bugs and errors fixing related to hexagonal cells

1.6

Added asymmetric peaks fitting
speed improvement in getting atomic displacements
Added FFT as a method to calculate power spectrum (using numpy or fftw)
Internal API changes
Bug corrections.

1.5.3.3

lattice vectors no longer need to be aligned in a certain orientation

1.5.3.2

Solved issue related to lattice vectors when loading trajectories from LAMMPS

1.5.3.1

Fixed: wave vector not read correctly when loading projected velocity VC.

1.5.3

Results now shown in eV units
Update interactive interface
Check if wave vector is commensurate point in the MD cell
Main API displaced from controller.py to **init**.py file
Other minor updates

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