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

v0.5.0

Crystalline v0.5.0

Diff since v0.4.22

Merged pull requests:

• CompatHelper: add new compat entry for Statistics at version 1, (keep existing compat) (#52) (@github-actions[bot])
• Add magnetic space group tooling and improve group operation loading (Fix #39) (#54) (@thchr)

Closed issues:

• Stop loading symmetry operations from disk (#39)
• SquareStaticMatrices.jl as its own package? (#53)

v0.4.22

Crystalline v0.4.22

Diff since v0.4.21

v0.4.21

Crystalline v0.4.21

Diff since v0.4.20

Merged pull requests:

• Plotting fourier lattices now supports subplots (#47) (@AliGhorashiCMT)

v0.4.20

Crystalline v0.4.20

Diff since v0.4.19

v0.4.19

Crystalline v0.4.19

Diff since v0.4.18