Changelog

23.04

Recent changes and features in this release include:

  • Added: allow custom properties for prop section in qdynpylib LevelModel (!132)

  • Added: Change f_dep_func interface to allow passing the entire pulses array (!50, #111)

  • Added: benchmarking output of qdyn_prop_traj (!133)

22.07

Recent changes and features in this release include:

  • Fixed: bug in roots of Gauss-Legendre quadrature (!126, #182)

22.02

Recent changes and features in this release include:

  • Fixed: memory leak in qdyn_prop_traj for multiple runfolders (!107)

  • Added: option for arnoldi-specrad for small Hamiltonians (!108)

  • Fixed: bug in LBFGS optimization (!114, #175)

  • Added: option for LBFGS optimization to skip pulses (!115, #176)

  • Fixed: segmentation fault when initializing dissipators from config file (!95, #165)

  • Added: compatibility with ifort oneAPI version (!122)

  • Fixed: initialization of spectral filters from qdynpylib (!111, #173)

21.07

This is the first release under calendar versioning.

Recent changes and features in this release include:

  • Added: example for simulating asymmetric top molecules (!89)

  • Added: Hamiltonian matrices for asymmetric top molecules (field-free and dipole interaction) (!89, #139, #147)

  • Added: option to perform linesearch for λₐ parameter in Krotov’s method (#159)

  • Added: functional for population transfer (!84)

  • Added: cookiecutter template for Fortran programs (!78, #153)

  • Added: qdyn_prop_traj utility now accepts a list of runfolders (#136)