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The big "beautiful" PR - #30

Merged

andersx merged 28 commits into

qmlcode:mainfrom

andersx:main

Feb 21, 2026

Merged

The big "beautiful" PR#30
andersx merged 28 commits into
qmlcode:mainfrom
andersx:main

Commits on Feb 16, 2026
- Fix CMake build system and remove legacy build files
  andersx
  committed
  0704c51
- Add pybind11 bindings for Fortran solver functions
  andersx
  committed
  f7f82c5
- Refactor fsolvers.f90 to eliminate code duplication
  andersx
  committed
  1123b89
- Add pybind11 bindings for representations and utils modules
  andersx
  committed
  d914edb
- Add input validation back to representation functions
  andersx
  committed
  e02c9d4
- Add comprehensive input validation to all representation functions
  andersx
  committed
  e953de5
- Remove example kernel files and build configuration
  andersx
  committed
  6fbefac
- Restore compiler optimization flags for all modules
  andersx
  committed
  e01dad2
- Merge pull request #1 from andersx/fix/cmake-build-system
  andersx
  authored
  94ed569
- Add pybind11 bindings for kernels
  andersx
  authored
  6c70f21
- Convert gradient kernels from f2py to pybind11 (#3)
  andersx
  authored
  2ab7e37
- Convert SLATM to pybind11 and remove ARAD representation (#4)
  andersx
  authored
  f12aa9e
- WIP: Migrate FCHL representations from f2py to pybind11 (#5)
  andersx
  authored
  1e09b07
Commits on Feb 17, 2026
- Complete FCHL migration from f2py to pybind11 (#6)
  andersx
  authored
  97ead18
- Feature/fix gradient kernels (#7)
  andersx
  authored
  958f797
Commits on Feb 18, 2026
- Fix/fchl openmp race conditions (#8)
  andersx
  authored
  68429c1
- Fix local kernel functions to handle arbitrary representation sizes (#9)
  andersx
  authored
  68d58e9
- Fix test_gdml_derivative and add diagnostics to remaining xfail tests (#10)
  andersx
  authored
  cc8b248
- Convert README from RST to Markdown
  andersx
  committed
  7a3594b
- Remove README.rst in favor of README.md (#11)
  andersx
  authored
  5396700
- Add strict ruff and mypy linting (#12)
  andersx
  authored
  e8ed1b7
- Migrate from mypy to ty for type checking (#13)
  andersx
  authored
  919394a
- Migrate fqrlq_solve, fcond, and fcond_ge from f2py to pybind11 (#14)
  andersx
  authored
  a7adc2c
Commits on Feb 19, 2026
- Separate integration tests from unit tests for faster CI (#15)
  andersx
  authored
  e66b12c
- Optimize FCHL kernel tests with symmetry
  andersx
  authored
  522e576
- WAdded ci build for macos (#17)
  andersx
  authored
  155a2b0
Commits on Feb 21, 2026
- Feature/release workflow (#18)
  andersx
  authored
  8ace403
- Last mile 1 (#19)
  andersx
  authored
  7dc5304

Commits

Commits on Feb 16, 2026

Commits on Feb 17, 2026

Commits on Feb 18, 2026

Commits on Feb 19, 2026

Commits on Feb 21, 2026