版本发布 8
## Sunny v0.9.1 [Diff since v0.9.0](https://github.com/SunnySuite/Sunny.jl/compare/v0.9.0...v0.9.1) Migration notes: - Squared error functions now expect target data as the first argument. Normalization factor is now calculated from target data alone. - Generalized function `squared_error_fitted` replaces `squared_error_with_rescaling`. - Return value $U$ of `uncertainty_matrix` increases by a factor of two. This is done to simplify expression of the statistical covariance, $U / \nu$. [Full release notes](https://sunnysuite.github.io/Sunny.jl/stable/versions.html) **Merged pull requests:** - Bump julia-actions/cache from 2 to 3 (#479) (@dependabot[bot]) - Updates to the `FormFactor` interface (#482) (@kbarros) - Model Pr⁴⁺ form factor as Ce³⁺ form factor with length-scale contraction (#483) (@kbarros) - Fitting tools updates (#484) (@kbarros) - Various fitting updates (#485) (@kbarros) - References for conventional Stevens operators (#486) (@kbarros) - Bump julia-actions/setup-julia from 2 to 3 (#487) (@dependabot[bot]) - Fix indexing bug in reshaped `swt.sys.crystal` (#489) (@kbarros) **Closed issues:** - Better error message when charge state is not in `FormFactor` tables (#480)
## Sunny v0.8.1 [Diff since v0.8.0](https://github.com/SunnySuite/Sunny.jl/compare/v0.8.0...v0.8.1) **Merged pull requests:** - SCGA returned intensity must store original crystal (#464) (@kbarros) - Add `copy_spins!`. Expose `jitter` argument in `minimize_energy!` (#465) (@kbarros) - Higher tolerance in SCGA convergence (#467) (@kbarros)
## Sunny v0.7.7 [Diff since v0.7.6](https://github.com/SunnySuite/Sunny.jl/compare/v0.7.6...v0.7.7) **Merged pull requests:** - Self-consistent Gaussian Approximation (SCGA) (#355) (@kbarros) - Rename hidden `axisopt` keyword argument to `axis` (#378) (@kbarros) - Fix `plot_intensities` for data on very large grids (#379) (@kbarros) - Fix handling of reshaped systems with `SpinWaveTheorySpiral` (#382) (@kbarros) - Dipole-dipole interactions incorporate demagnetization factor tensor (#385) (@kbarros) - Revise tutorial on momentum transfer conversions (#386) (@kbarros) - Replace shadowed variable with assertion check (#387) (@quantumsteve) - Check reality of symbolic spin polynomial coefficients (#388) (@kbarros) - Rename `set_spin_rescaling_for_static_sum_rule!` (#389) (@kbarros) - Make energy minimization more reliable (#397) (@kbarros) - Avoid storing duplicate logo files (#401) (@kbarros) **Closed issues:** - Incorporate demagnetization effects into dipole-dipole interactions (#380) - Find a spacegroup given partial list of symmetry operations (#383)
## Sunny v0.7.6 [Diff since v0.7.5](https://github.com/SunnySuite/Sunny.jl/compare/v0.7.5...v0.7.6) **Merged pull requests:** - Rewrite of Spiral SWT (#304) (@kbarros) - Replace KPM with Lanczos (#339) (@kbarros) - Support vacancies in spin wave theory (#350) (@kbarros) - Fix `suggest_magnetic_supercell` with multiple wavevectors (#352) (@kbarros) - Update README with Sunny paper reference (#353) (@kbarros) - The atom index passed to `spin_label` must refer to the original crystal (#359) (@kbarros) - Adapt test tolerances to true Float64 precision (#360) (@ddahlbom) - Clone `sys.origin` when building reshaped system (#365) (@kbarros) - Functions to look up quadratic interactions from a system (#366) (@kbarros) - Fix `view_crystal` on reshaped system (#367) (@kbarros) - Allow custom integrator in SampledCorrelations (#371) (@ddahlbom) - Miscellaneous cleanups (#372) (@kbarros) - Miscellaneous cleanups (#373) (@kbarros) - Clean `print_site` if allowed anisotropy operators are missing (#375) (@kbarros) **Closed issues:** - `view_crystal` is broken for reshaped system (#356) - Glitch in `print_site` for disallowed anisotropies (#357) - Broken `set_onsite_coupling!` with functional argument when applied for reshaped system (#358) - Clone `sys.origin` when building reshaped system (#364) - Finite temperature prefactor in SpinWaveTheory has incorrect q-dependence (#370) - Error when setting "general" couplings with quantum spin-1/2 (#376)
## Sunny v0.7.5 [Diff since v0.7.4](https://github.com/SunnySuite/Sunny.jl/compare/v0.7.4...v0.7.5) **Merged pull requests:** - Consistency in expansion of anisotropy (#342) (@kbarros) - Readme updates (#345) (@kbarros) - Fix Ewald couplings within Luttinger-Tisza analysis (#348) (@kbarros) - Change convention for LSWT dynamical matrix (#349) (@kbarros) - Update dependencies (#351) (@kbarros) **Closed issues:** - Consistency in coefficients for Stevens expansion (#60) - Error converting examples/extra/heisenberg_animation.jl into a Jupyter notebook (#347)
## Sunny v0.7.4 [Diff since v0.7.3](https://github.com/SunnySuite/Sunny.jl/compare/v0.7.3...v0.7.4) **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)
## Sunny v0.7.3 [Diff since v0.7.2](https://github.com/SunnySuite/Sunny.jl/compare/v0.7.2...v0.7.3) **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)
## Sunny v0.7.2 [Diff since v0.7.1](https://github.com/SunnySuite/Sunny.jl/compare/v0.7.1...v0.7.2) **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)