v1.0.0b18

What's Changed

• Allow storing structure in the geometry optimisation notebook. by @yakutovicha in #221
• Add more slab types: SlabYZ and SlabXZ by @yakutovicha in #220
• SPM orbital calc: don't require carbon to be present by @eimrek in #222

Full Changelog: v1.0.0b17...v1.0.0b18

v1.0.0b17

What's Changed

• fixed the creation of the zip file for cube-kit by @cpignedoli in #218

Full Changelog: v1.0.0b16...v1.0.0b17

v1.0.0b16

What's Changed

• Bump aiida-cp2k to 2.1.0b1 by @yakutovicha in #219

Full Changelog: v1.0.0b15...v1.0.0b16

v1.0.0b15

What's Changed

• Move thumbnail functions to utils by @yakutovicha in #216
• Update dependencies by @yakutovicha in #217

Full Changelog: v1.0.0b14...v1.0.0b15

v1.0.0b14

What's Changed

• Fix PDOS viewer by @yakutovicha in #210
• Update README.md by @cpignedoli in #211
• Add cell editor to the geometry optimisation notebook by @yakutovicha in #212
• Fix issue with with exporting PDOS curves by @yakutovicha in #213

Full Changelog: v1.0.0b13...v1.0.0b14

v1.0.0b13

What's Changed

• Fix star-arg unpacking after a keyword argument by @yakutovicha in #205
• Remove use of the OPTIMADE widget that slows things down. by @yakutovicha in #207
• Migrate to standard AWB structure viewer by @yakutovicha in #208
• Bump aiida-nanotech-empa to 1.0.0b6 by @yakutovicha in #209

Full Changelog: v1.0.0b12...v1.0.0b13

v1.0.0b12

What's Changed

• Fix/pdosviewer by @cpignedoli in #202
• Bump aiida-nanotech-empa to v1.0.0b5 by @yakutovicha in #203

Full Changelog: v1.0.0b11...v1.0.0b12

v1.0.0b11

What's Changed

• Fix: submit SPM notebook by @yakutovicha in #201

Full Changelog: v1.0.0b10...v1.0.0b11

v1.0.0b10

What's Changed

• Cdxml using rdkit library by @fabioacl in #198
• Move diagonalisation and smearing settings to a separate widget by @yakutovicha in #200

New Contributors

• @fabioacl made their first contribution in #198

Full Changelog: v1.0.0b9...v1.0.0b10

v1.0.0b9

What's Changed

• PDOS submission notebook: allow multiple runs, append submission output by @yakutovicha in #185
• Add and apply nbqa pre-commit hook to format notebooks by @yakutovicha in #186
• Move PDOS viewer in a separate class by @yakutovicha in #188
• Pre-commit config: fix autoupdate_schedule by @yakutovicha in #195
• Allow to avoid the automatic "NONPERIODIC" for molecules calculations by @cpignedoli in #189
• Fix widgets behaviour in the SPM notebook by @yakutovicha in #197

Full Changelog: v1.0.0b8...v1.0.0b9