v0.6.5

Crystalline v0.6.5

Diff since v0.6.4

v0.6.4

Crystalline v0.6.4

Diff since v0.6.3

v0.6.3

Crystalline v0.6.3

Diff since v0.6.2

v0.6.2

Crystalline v0.6.2

Diff since v0.6.1

v0.6.1

Crystalline v0.6.1

Diff since v0.6.0

v0.6.0

Crystalline v0.6.0

Diff since v0.5.4

This is intended as a preliminary release of a v0.6 series, with some flux still to be expected in the definitions of BandRep, NewBandRep, and SymmetryVector as well as tooling around it.

New features

• nigglibasis: compute the Niggli-reduced cell basis.
• SymmetryVector: encode the symmetry content of a set of irrep multiplicities
• Use SymmetryVector to define a new type NewBandRep{D} (and Collection{NewBandRep{D}}, which is expected to replace BandRep (and BandRepSet) eventually.

v0.5.4

Crystalline v0.5.4

Diff since v0.5.3

Merged pull requests:

• include and export calc_bandreps (supersedes and closes #37) (#60) (@thchr)

Closed issues:

• Mulliken labels of -4m2 (#59)

v0.5.3

Crystalline v0.5.3

Diff since v0.5.2

v0.5.2

Crystalline v0.5.2

Diff since v0.5.1

v0.5.1

Crystalline v0.5.1

Diff since v0.5.0