v0.7.4

Sunny v0.7.4

Diff since v0.7.3

Merged pull requests:

• Refactor plotting code, support Brillouin.jl (#328) (@kbarros)
• Support GLMakie precompiles on Julia 1.11.2 (#329) (@kbarros)
• Fix error message when g-tensor is symmetry disallowed (#330) (@kbarros)
• Properly handle vacancies with minimize_energy! (#331) (@kbarros)
• Add KPM to README and update links (#332) (@kbarros)
• Run minimize_energy! until gradient fully converges (#333) (@kbarros)
• Default seed for a System is generated from the task-local RNG (#334) (@kbarros)
• Add Sunny version check to generated scripts (#335) (@kbarros)
• Update the documentation landing page (#337) (@kbarros)
• Fix load_nxs with recent JLD2 (#338) (@kbarros)
• Refine documentation and prepare Sunny 0.7.4 release (#340) (@kbarros)

Closed issues:

• Expose semi-stable API for excitation (eigenmode) viewer (#221)
• Better support for Brillouin.jl (#248)
• Support minimize_energy! for systems with vacancies (#283)
• Better detect convergence of minimize_energy! for large systems (#286)
• Tutorials should begin with a version check (#287)

v0.7.3

Sunny v0.7.3

Diff since v0.7.2

Merged pull requests:

• 0.7-style binning (#310) (@Lazersmoke)
• Avoid crashes when reporting symmetry-allowed interactions (#317) (@kbarros)
• Stabilize KPM (#318) (@kbarros)
• Warn if set_onsite_coupling! is called for spin s=1/2 (#319) (@kbarros)
• Add symmetrize_coupling function (#320) (@kbarros)
• Rename :dipole_large_S to :dipole_uncorrected (#321) (@kbarros)
• Update tutorials (#322) (@kbarros)
• Remove MVector from intensities calls for SampledCorrelations (#323) (@ddahlbom)
• Entangled units updates (#324) (@ddahlbom)
• Track spacegroup setting (#325) (@kbarros)
• Fix reference data for entangled units "dimer" test on Julia 1.11 (#326) (@kbarros)
• Add Wyckoff inference test (#327) (@kbarros)

Closed issues:

• Sometimes site symmetry can't be inferred (#44)
• Assertion error in stevens_basis_for_symmetry_allowed_anisotropies triggered by certain crystals (#260)

v0.7.2

Sunny v0.7.2

Diff since v0.7.1

Merged pull requests:

• Fix test for repeated wave vectors in SampledCorrelations (#314) (@ddahlbom)
• Make Colorbar more reliable (#315) (@kbarros)
• Update Tutorial 7 to automatically optimize spins (#316) (@kbarros)

Closed issues:

• More translations of SpinW tutorials (#186)

v0.7.1

Sunny v0.7.1

Diff since v0.7.0

Merged pull requests:

• Update README and docs (#308) (@kbarros)
• Avoid Colorbar crash on empty color range (#309) (@kbarros)
• Fix intensity scale for SampledCorrelations with reshaped system (#311) (@kbarros)
• Entangled units (#312) (@ddahlbom)
• Fix scalar biquadratic interaction (#313) (@kbarros)

v0.7.0

Sunny v0.7.0

Diff since v0.6.1

Merged pull requests:

• Refresh interface for intensities calculation (#288) (@kbarros)
• Kernel polynomial method, take 2 (#289) (@kbarros)
• More SpinW ports (#291) (@kbarros)
• Add repeat_periodically_as_spiral (#293) (@kbarros)
• Error message when calling intensities on a SC with kT=0 (#294) (@ddahlbom)
• Add SpinW tutorials 9, 10, 11 (#295) (@kbarros)
• Add SpinW tutorials 12, 13, 14 (#296) (@kbarros)
• Small cleanups to SampledCorrelations (#297) (@kbarros)
• Add intensities_static with integration bounds (#298) (@kbarros)
• Update tutorials 1 through 4 (#299) (@kbarros)
• System expects dims as keyword argument (#300) (@kbarros)
• Replace SpinInfo with Moment (#301) (@kbarros)
• Move formfactors into measure (#302) (@kbarros)
• Spiral renamings (#303) (@kbarros)
• Docs fine tuning (#305) (@kbarros)
• Uncomment contributed build commands (#306) (@ddahlbom)
• Colorbars and titles (#307) (@kbarros)

Closed issues:

• Minor improvement to comments / docs for Symmetry/AllowedCouplings.jl (#5)
• Linear spin wave theory wishlist (#70)
• Some type-parameter grabbing code is very opaque (#127)
• Occasional WGLMakie crashes inside VSCode panel (#290)

v0.6.1

Sunny v0.6.1

Diff since v0.6.0

Merged pull requests:

• Misc fixes (#280) (@giordano)
• Better loading of mCIF (#281) (@kbarros)
• Simplify sampled correlations test (#282) (@kbarros)
• Change magnetic moment conventions (#284) (@kbarros)
• Flexible Units (#285) (@kbarros)

Closed issues:

• Better estimation of real-time correlations (#218)

v0.6.0

Sunny v0.6.0

Diff since v0.5.11

Merged pull requests:

• Fix signs of magnetic moments and LL spin dynamics (#247) (@kbarros)
• Fix sign of momentum transfer (#271) (@kbarros)
• Classical intensities as density (#272) (@ddahlbom)
• Update frequency factor and tests (#273) (@Lazersmoke)
• Support loading magnetic structure from MCIF (#277) (@kbarros)
• Informative error message regarding zero-spin (#278) (@kbarros)
• Undeprecate biquad argument in set_exchange! (#279) (@kbarros)

Closed issues:

• Notation for tensor product space (#177)
• Incorrect sign of magnetic moment! (Breaking change for v0.6) (#190)
• Clarify usage of copy and deepcopy (#193)
• The scale of "broadened intensities" should be independent of calculator (SpinWaveTheory or dynamical_correlations) (#264)
• Wavevector q should describe momentum transfer to the sample (#270)
• Can sunny do constant-energy cut simulation？ (#274)
• Informative error message when S = 0 is passed to a SpinInfo (#275)
• Un-deprecate biquad option to set_exchange! (#276)

v0.5.11

Sunny v0.5.11

Diff since v0.5.10

v0.5.10

Sunny v0.5.10

Diff since v0.5.9

Merged pull requests:

• Experimental support for spiral phases (#230) (@kbarros)
• Fix wraparound bug (#246) (@Lazersmoke)
• Precompiles for Makie backends (#255) (@kbarros)
• Support more complicated .nxs in load_nxs (#256) (@Lazersmoke)
• Support long-range dipole in linear spin wave theory (#257) (@kbarros)
• Expose clone_system in public API (#259) (@kbarros)
• Make instant_intensities_interpolated docstring in line with intensities_interpolated (#262) (@Lazersmoke)
• Support varying spin-S in dipole mode (#263) (@kbarros)
• Upgrade Makie to 0.21 (#266) (@kbarros)
• Document magnetic moment sign error (#269) (@kbarros)

Closed issues:

• plot_spins should color atoms by type (#142)
• More toggles in view_crystal (#250)
• intensities_bands doesn't accept arbitrarily shaped arrays (#252)
• Verify that anisotropy operators rotate correctly (#261)

v0.5.9

Sunny v0.5.9

Diff since v0.5.8

Merged pull requests:

• Suggest integration timestep (#208) (@kbarros)
• Fix available_energies (#215) (@ddahlbom)
• Add precompiles for symmetry analysis (#220) (@kbarros)
• Add doc benchmarks (#222) (@kbarros)
• Fix U(1) gauge symmetry in dipole-LSWT (#223) (@Hao-Phys)
• Add DocCleanup.yml action (#224) (@kbarros)
• Fix processtraj! and symmetrize (#226) (@ddahlbom)
• Add checks on Langevin parameters (#228) (@kbarros)
• LSWT corrections to the classical energy and ordered moment (#229) (@Hao-Phys)
• Apply g-tensor uniformly to calculated intensities (#231) (@Lazersmoke)
• Catch errors during show(System) (#234) (@Lazersmoke)
• Thermostat for implicit midpoint (#239) (@ddahlbom)
• Structure factor docs (#240) (@kbarros)
• Remove most unicode from public API (#242) (@kbarros)
• Bugfix: typo in Element contractor (#245) (@Lazersmoke)
• Enhancements to view_crystal (#253) (@kbarros)
• Scalar biquadratic support for :dipole_large_S (#254) (@kbarros)

Closed issues:

• Treatment of divergent intensities at Bragg peaks (#72)
• Integration assistance (#149)
• Performance regression in phase averaging (#204)
• Missing U(1) gauge invariance in :dipole mode? (#216)
• Support rotated spin directions in dipole-mode Spin Wave Theory (#232)
• Unify normalization conventions of dynamical correlation (#235)
• Apply g-tensor to spin dipoles before calculating dynamical correlations (#236)
• Possible inconsistency in printed allowed symmetries (#241)
• view_crystal should show exchange interactions (#249)
• Restore scalar biquadratic in mode = :dipole_large_S (#251)