DCore 4.1.0 がリリースされました

GitHubでのリリースページは https://github.com/issp-center-dev/DCore/releases/tag/v4.1.0 です。

DCore is a DMFT (Dynamical Mean Field Theory) program package with interfaces to some first-principles program packages such as VASP, Quantum ESPRESSO, OpenMX and various external impurity solvers.

What’s Changed in 4.1.0 from 4.0.0

dcore_anacont

• The default value of solver of the [post.anacont] section was set to a valid value, “pade” (#156)
• The default value of solver of the [post.anacont.spm] section became “” (empty), which means using the default solver in CvxPy package (#154)
  • The default solver of CvxPy is “ECOS” (< cvxpy1.6) or “Clarabel” (>= cvxpy1.6)
• n_tau of the [post.anacont.spm] can be omitted (#158)

For developers

• In postprocessing, DCore can now call an external worker class (sumkdft.worker) without modifying DCore code (#155)
• In calling sumkdft.worker with MPI, mpi4py.run is used to avoid deadlocks (#153)