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