Tags give the ability to mark specific points in history as being important
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v19.11.1
661ff895 · ·Version 19.11.1 of BoltzTraP2 Bug fixes: - Read the last Fermi level from WIEN2k files (thanks go to Gavin Abo). - Fix some "ohm" symbols in the plots. Improvements: - Write a specific header for .trace files created in uniform-lambda runs. - Scale uniform-lambda outputs automatically. - Add specific legends to uniform-lambda plots. Known outstanding bugs: - The abinit backend does not seem to work with versions >=1.4 of the netcdf4 module. -
v19.7.3
eab0896c · ·Version 19.7.3 of BoltzTraP2 This version is identical to 19.7.2, and was created to solve a problem with the PyPI uploads. -
v19.7.2
f2825a82 · ·Version 19.7.2 of BoltzTraP2 Bug fixes: - The draggable() method of matplotlib legends has been deprecated. Remove it from BoltzTraP2. -
v19.7.1
3e58c0b7 · ·Version 19.7.1 of BoltzTraP2 Bug fixes: - The introduction of ase.cell.Cell objects in ASE 3.18.0 had broken our serialization routine. Fix it. -
v19.6.2
8eca42a3 · ·Version 19.6.2 of BoltzTraP2 Bug fixes: - Fix for setup.py on macOS (thanks go to Joakim Brorsson). -
v19.6.1
194e4fac · ·Version 19.6.1 of BoltzTraP2 Bug fixes: - Improve compatibility of setup.py with macOS (thanks go to Alex Ganose and Joakim Brorsson). - Fix logging problem in "misc" package when BoltzTraP2 us used as a module (thanks go to Alex Ganose). - Fix a couple of import statements. - Fix the legend in some temperature plots. - Improve the calculation of mu for the dope command (thanks go to). - Update some of the tests. Known outstanding bugs: - The abinit backend does not seem to work with versions >=1.4 of the netcdf4 module. -
v19.1.1
bf56755e · ·Version 19.1.1 of BoltzTraP2 New features: - Experimental CASTEP support, contributed by Genadi Naydenov Bug fixes: - Fix a bug in the curvature calculation (thanks go to fraricci) - Fix some typos in the comments Cosmetic changes: - Update all copyright headers -
v18.9.1
5ff3b76a · ·Version 18.9.1 of BoltzTraP2 This is a bug-fixing release adressing a unit conversion bug in the "dope" subcommand. Thanks go to Joakim Brorsson for the report. -
v18.8.1
d339a239 · ·Version 18.8.1 of BoltzTraP2 This is a major release focusing on improved support for spin-polarized calculations, and specifically those with noncollinear magnetic moment configurations that are incompatible with the full space group. This has demanded important changes in the low-level parts of the program, so users are encouraged to test this release and report any problems. We would like to acknowledge the contribution of Michael / 93KMZ in the form of input data, testing, analyses and comparisons. The release also contains a number of comparatively minor bug fixes and optimizations. Due to constraints on file size on PyPI, the data directory is now heavily compressed and must be uncompressed locally before using pytest or running the examples. -
v18.7.1
38729873 · ·Version 18.7.1 of BoltzTraP2 The highlights of this release are two new features: - Make getBands() return curvatures when asked (merge request by fraricci). - Highly experimental support for VASP inputs with KINTER (thanks go to Joakim Brorsson for help with debugging and testing). -
v18.5.1
016c7d27 · ·Version 18.5.1 of BoltzTraP2 This is a small bugfix release. Bug fixes: - Include Eigen in the PyPI package. -
v18.4.2
d9e2b469 · ·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 · ·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
a1caf582 · ·Version 18.3.2 of BoltzTraP2 This version fixes a bug in v18.3.1 whereby the default scattering model was not correctly set.
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v18.3.1
2449c61a · ·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. -
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