diff --git a/CHANGELOG.md b/CHANGELOG.md new file mode 100644 index 000000000..5a2534bb8 --- /dev/null +++ b/CHANGELOG.md @@ -0,0 +1,150 @@ +# Change log + +## Version 1.5.0 2023-05-24 + +### Added + +- Imported basic MPI functionality from MRChem +- Haar basis MW filters (only functions, no operators) +- Possibility for anisotropic MWOperator +- CartesianConvolution operator (e.g. xy/r^3) + +### Fixed + +- Reintroduces operator build_prec needed by VAMPyR +- Bug in getQuadraturePoints (row/col mixup) + + +## Version 1.4.2 2023-01-20 + +### Fixed + +- Invalid read in coef block for nodes without coefs +- Node count error for negative scales with PBC +- Missing includes resulting in compile errors for recent gcc + + +## Version 1.4.1 2022-01-05 + +### Changed + +- Catch version 2.13.5 + +### Fixed + +- Buffer overflow in NodeAllocator +- Polynomial integration bound error message + + +## Version 1.4.0 2021-10-13 + +### Added + +- New constructors for BoundingBox and MRA, accepting box=[-L,L] argument +- Add FunctionTree::evalf_precise() which evaluates both scaling and wavelet parts +- Possibility for empty tree skeletons without allocated coefficients +- Possibility to manually set location of MW filters at configure time + +### Changed + +- Eigen version 3.4.0 +- Improvements under the hood of the Tree classes (non-API): + - remove GenNode and ProjectedNode + - simplified NodeAllocator class + - new improved OMP locking + +### Fixed + +- Get node center and (lower/upper) bounds + + +## Version 1.3.6 2020-10-27 + +### Fixed + +- Put OpenMP and MPI in CMake INTERFACE +- Fix --arch-flags CMake option +- Fix kramdown security issue +- Document variuos packaging options + +## Version 1.3.5 2020-10-05 + +### Fixed + +- Remove final qualifier GaussFunc/GaussPoly (fixing pybind11 bindings) + +## Version 1.3.4 2020-10-02 + +### Fixed + +- Allow to remove arch-specific optimization flags +- Undo export of compiler flags with MRCPP CMake target +- Encapsulate OpenMP within MRCPP and export MRCPP_HAS_OMP flag +- Encapsulate MPI within MRCPP and export MRCPP_HAS_MPI flag +- Fix faulty OpenMP locks +- Minor inlining optimizations + +## Version 1.3.3 2020-09-23 + +### Fixed + +- Export compiler flags with MRCPP CMake target + + +## Version 1.3.2 2020-09-14 + +### Fixed + +- Miscellaneous fixes for building on conda-forge + + +## Version 1.3.1 2020-09-02 + +### Fixed + +- Uninitialized (max)norms used in space-varying precision algorithms + + +## Version 1.3.0 2020-08-28 + +### Added + +- Function mapping functionality +- Possibility for faster operator application by space-varying precision + + +## Version 1.2.0 2020-04-13 + +### Added + +- Projecton of vector function onto FunctionTreeVector (API) +- Construction of semi-periodic Gaussians (non-API) +- CircleCI test build config + +### Changed + +- New versioning scheme and branching model, documented in README +- Much improved API documentation +- Proper installation of MW filters +- FunctionTrees are now evaluated as zero outside the domain + +### Fixed + +- Faulty cube plot grid generation +- Pull Eigen from gitlab instead of deprecated github mirror +- Incompatible compiler flags between debug and release +- Failing periodic unit tests +- Plotting range verification + + +## Version 1.1.0 2019-10-30 + +### Added + +- Option in the API for building trees using absolute MW precision. +- Functionality to estimate absolute node overlaps for screening purposes. + +### Fixed + +- Added missing b-spline derivative header to MWOperators include. +- Make sure that Eigen3 is found along MRCPP. diff --git a/VERSION b/VERSION index 1433486b4..bc80560fa 100644 --- a/VERSION +++ b/VERSION @@ -1 +1 @@ -1.5.0-alpha +1.5.0