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v1.3.1
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@alejandrojuria alejandrojuria released this 28 Mar 11:14
· 21 commits to master since this release
v1.3.1
202336b

Changelog:

  • Fixed bug where the BSE matrix would be initialized to zero due to an integer overflow for big systems (dim BSE > 40k).
  • Removed unused variable HK which required the same memory as the BSE.
  • kineticEnergy method from Results now computes the band energy for each electron-hole pair before computing the total band (or kinetic) energy of the exciton.
  • Critical integer variables have been changed to uint64 so bigger systems should be accessible now with the current implementation.
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