- PR #2518 from @JaGeo. Fixed wrong line in ICOHPLIST.lobster being read to assess whether orbitalwise interactions are included in these files.
- PR #2520 from @arosen93. Adds a new property to the
PointGroupAnalyzer
: the rotational symmetry number. - PR #2522 from @jmmshn. Fixes PD JSON serialization.
- PR #2514 from @qianchenqc. Replaced the IALGO tag with ALGO as recommended in the vasp documentation https://www.vasp.at/wiki/index.php/IALGO.
- PR #2404 from @nheinsdorf. Added a method that gets all the neighbors up a maximum distance for a Structure, and groups these 'bonds' according to their symmetry.
- PR #2509 from @jacksund Fix NMR Set.