almaBTE v.1.1 released

A new version of almaBTE is now available from the downloads page.

Release 1.1 includes the following changes:

Improvements

  • Reduced memory footprint of Monte Carlo solver
  • All executables taking xml input verify the presence/existence of the input file
  • beyondRTA routines are now parallelised
  • Revised implementation of the non-analytic correction
  • Bundled a newer version (3.3.3) of Eigen
  • Unit tests that run other executables are more robust and portable
  • Improved cross-platform transferability by removing ambiguity in the choice of bases for degenerate vibrational subspaces

Bug fixes

  • Corrected issue with diagonal elements of the coefficient matrix in some beyondRTA routines
  • Fixed a directory creation issue in some executables that could prevent them from writing output to the requested location
  • Updated tutorial to suggest appending the alma directories to $PATH