Change log
Contents
Change log#
v0.2.5#
Fix symmetry-adapted displacements for noisy and lower-symmetry inputs [#27]
Require
spgrep>=0.3.3
for robust treatment for selecting symmetry-adapted bases
v0.2.4#
Fix
get_translational_subgroup()
for Gamma point
v0.2.3#
Initial release to PyPI
Calculate representation matrices and irreps formed by phonon eigenmodes
Calculate isotropy subgroups of irreps of space groups on the fly
Generate modulated structures in selected order-parameter directions of isotropy subgroups