Releases | Open Source Science

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.

- Julia
Published by github-actions[bot] over 1 year ago

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)

- Julia
Published by github-actions[bot] over 1 year ago

Crystalline v0.5.3

Diff since v0.5.2

- Julia
Published by github-actions[bot] over 1 year ago

Crystalline v0.5.2

Diff since v0.5.1

- Julia
Published by github-actions[bot] almost 2 years ago

Crystalline v0.5.1

Diff since v0.5.0

- Julia
Published by github-actions[bot] almost 2 years ago

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)

- Julia
Published by github-actions[bot] about 2 years ago

Bravais - v0.4.22

Crystalline v0.4.22

Diff since v0.4.21

- Julia
Published by github-actions[bot] almost 3 years ago

Bravais - v0.4.21

Crystalline v0.4.21

Diff since v0.4.20

Merged pull requests: - Plotting fourier lattices now supports subplots (#47) (@AliGhorashiCMT)

- Julia
Published by github-actions[bot] over 3 years ago

Bravais - v0.4.20

Crystalline v0.4.20

Diff since v0.4.19

- Julia
Published by github-actions[bot] over 3 years ago

Bravais - v0.4.19

Crystalline v0.4.19

Diff since v0.4.18

- Julia
Published by github-actions[bot] over 3 years ago

Bravais - v0.4.18

Crystalline v0.4.18

Diff since v0.4.17

Merged pull requests: - CompatHelper: bump compat for DocStringExtensions to 0.9, (keep existing compat) (#40) (@github-actions[bot])

- Julia
Published by github-actions[bot] over 3 years ago

Bravais - v0.4.17

Crystalline v0.4.17

Diff since v0.4.16

- Julia
Published by github-actions[bot] almost 4 years ago

Bravais - v0.4.16

Crystalline v0.4.16

Diff since v0.4.15

- Julia
Published by github-actions[bot] almost 4 years ago

Bravais - v0.4.15

Crystalline v0.4.15

Diff since v0.4.14

- Julia
Published by github-actions[bot] almost 4 years ago

Bravais - v0.4.14

Crystalline v0.4.14

Diff since v0.4.13

Merged pull requests: - New normalization for fourier lattices (#36) (@AliGhorashiCMT)

- Julia
Published by github-actions[bot] almost 4 years ago

Bravais - v0.4.13

Crystalline v0.4.13

Diff since v0.4.12

Closed issues: - subduction_count for complex irreps counts double (#35)

- Julia
Published by github-actions[bot] almost 4 years ago