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  • v18.5.1
    016c7d27 · Add Eigen to the manifest ·
    Version 18.5.1 of BoltzTraP2
    
        This is a small bugfix release.
    
        Bug fixes:
            - Include Eigen in the PyPI package.
  • v18.4.2
    d9e2b469 · Clarify the README ·
    Version 18.4.2 of BoltzTraP2
    
    This is a small bugfix release.
    
    Bug fixes:
        - Fix a problem with unit conversion when loading group velocities
        from VASP data (thanks to Gyu Hyeong Kim for reporting).
        - Update the README.
  • v18.4.1
    a7ad8ee1 · Update version numbers ·
    Version 18.4.1 of BoltzTraP2
    
    New features:
        - Experimental ABINIT support.
        - Replace C++11 code with old-style C++ to increase compiler
        compatibility.
        - Replace custom C++ matrix routines with the Eigen library.
        - NMake some error messages more informative.
    
    Bug fixes:
        - Use scipy.linalg.lstsq() instead of the numpy equivalent, to
        make the band reconstruction more robust.
        - Set the right default scattering model for the "dope" command
        (thanks to gabo13279 for the report).
        - Fix bandana(), which was dropping one band too many (thanks to
        Manuel Zingl for the report).
        - Fix a bug in the calculation of RH when custom scattering  rates
        were used (thanks to Manuel Zingl for the report).
        - Replace some dot products with einsum() to get around some
        out-of-memory errors on Mac, at the cost of some performance.
    
    Other notes:
        - Compiling with CLang on macOS seems to introduce numerical
        errors in the band reconstruction. We are investigating this issue
        (apparently related to the Accelerate Framework) and will provide
        a fix as soon as possible. In the meantime, macOS users are encouraged
        to compile BoltzTraP2 with GCC. CLang on Linux is known to work.
  • v18.3.2
    Version 18.3.2 of BoltzTraP2
    
    This version fixes a bug in v18.3.1 whereby the default scattering
    model was not correctly set.
  • v18.3.1
    Version 18.3.1 of BoltzTraP2
    
    Implement a new "dope" subcommand in the interface
    
        - Change the command-line syntax for temperatures. Now they
          are specified as a list of floats of ranges in the form
          "start:end:delta".
        - Use the same syntax for doping in the new command.
        - Change the name of refine_mu0 to solve_for_mu, which is now
          used to fit the chemical potential in more general cases.
        - Change the criterion for moving the chemical potential to the
          center of a gap.
        - Add a new "refine" boolean parameter to the function, which
          lifts the constraints that the returned value is a histogram
          bin.
        - Use refined estimates of the intrinsic chemical potential across
          the board.
        - Use the same value of N (relative to the neutral atom) in all
          "old-style" output files.
  • v18.1.2
    BoltzTraP2, version 18.1.2
  • v18.1.1
    497b5bdf · Update setup.py ·
    BoltTrap2, version 18.1.1
  • v17.12.1
    17b8a540 · Update the URL ·
    BoltzTraP2, version 17.12.1
  • v17.11.6
    BoltzTraP2 release v17.11.6
  • v17.11.3
    BoltzTraP2 v17.11.3
  • v17.11.2
    BoltzTraP2, version 17.11.2