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@alejandrojuria alejandrojuria released this 24 Nov 16:23
· 139 commits to master since this release
v1.1
ebbbe3b

Changelog:

  • Parallelized calculation of the lattice Fourier transform when using the real space calculation method.
  • Removed progress bar of lattice Fourier transform as it does not work properly in parallel environments.
  • Added setter for the exchange interaction.
  • Added routine to calculate the velocity of an exciton (available from the Results class).
  • Added support for CRYSTAL open-shell calculations.
  • Added example of reciprocal space calculation to the example files.
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