v1.1.1

What's Changed

• Optionally return the dislocation core fit error. by @imaliyov in #247
• WIP: Disloc kink structure generation by @thomas-rocke in #244
• Disloc self_consistency bugfix & generalised kink mapping by @thomas-rocke in #266
• MAINT: Upper bound numpy version <2.0.0 by @thomas-rocke in #270

New Contributors

• @imaliyov made their first contribution in #247

Full Changelog: v1.1.0...v1.1.1

v1.1.0

What's Changed

• DOC: Changed isbn to correct issn by @pastewka in #230
• DOC: Removed duplicate Jana2019 entry by @pastewka in #231
• JOSS: Fix affiliation for Lei Zhang by @jameskermode in #232
• DOC: Fixed references by @pastewka in #233
• Use UTF-8 instead of inline Math by @xuanxu in #235
• DOC: minor fixes in paper by @threich in #237
• DOC: Typos, reference fixes by @pastewka in #236
• DOC: typos by @threich in #238
• Create CITATION.cff by @threich in #239
• Add JOSS badge and citation guide by @threich in #240
• Hotfix for quadrupoles of CCDDs with no partial distance by @thomas-rocke in #241
• Configure Renovate by @renovate in #250
• DOC: update reference in non-reactive potential files by @threich in #242
• Update dependency docs/nglview to v3.1.2 by @renovate in #251
• Update dependency nglview to v3.1.2 by @renovate in #252
• Update softprops/action-gh-release action to v2 by @renovate in #260
• Update mikepenz/action-junit-report action to v4 by @renovate in #259
• Update actions/upload-artifact action to v4 by @renovate in #258
• Update actions/setup-python action to v5 - autoclosed by @renovate in #257
• Update actions/checkout action to v4 by @renovate in #256
• Update pypa/cibuildwheel action to v2.19.2 - autoclosed by @renovate in #255
• Modernization: CI and numpy 2.0 by @pastewka in #254
• DOC: fixes the interactive visualisations by @pgrigorev in #262

New Contributors

• @xuanxu made their first contribution in #235
• @renovate made their first contribution in #250

Full Changelog: v1.0.0...v1.1.0

v1.0.0

• This release aligns with the JOSS paper
• Significant updates documentation packages
• Displacement field and associated deformation tensors for dislocations in anisotropic elastic media
• Multiple improvements to arc-length continuation for flexible boundary conditions (NCFlex): Mode II fracture, mixed mode I/II fracture, parallel calculations
• Tools for generation of stacking fault & gamma surface (generalised stacking fault) images
• Committees of models as a calculator
• Compatibility with recent ASE and scipy versions
• Scripts are now an installable command-line interface; experimental scripts remain in a "staging" subdirectory
• Updated documentation packages
• Added tool for generating dislocation quadrupoles for any CubicCrystalDislocation or CubicCrystalDissociatedDislocation
• Refactor of dislocation internals & testing to allow for easy integration of new dislocation types and displacement solver methods.

v0.8.1

Patch release to fix installation on ppc64, amongst other things.

v0.8.0

Merge pull request #147 from simonwengert/23_committee_calculator_min…

v0.8.0.rc11

Merge pull request #145 from simonwengert/23_committee_calculator

ENH: added implementation for committe (of models) approach as a Calculator, including TST

v0.8.0.rc9

Merge pull request #136 from libAtoms/23-sdist-attempt-4

Update build-wheels.yml

v0.8.0.rc8

Merge pull request #135 from libAtoms/23-sdist-syntax-3

Update build-wheels.yml

v0.8.0.rc7

Merge pull request #134 from libAtoms/23-sdist-attempt-2

2nd attempt at fixing restricting sdist

v0.8.0.rc6

Merge pull request #133 from libAtoms/23-wheel-build-sdist

Upload sdist only with one python version