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SIRIUS/7.3.2

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@toxa81 toxa81 released this 05 Jul 13:51
· 241 commits to develop since this release
v7.3.2
7586b41
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A new release of the SIRIUS library contains the following updates

  • use COSTA library to change matrix distributions over MPI grid
  • LDA+U+V implementation for total energy, forces and stress for atomic and ortho-atomic orbitals
  • PoC implementation of the linear CG solver
  • minor fixes and code refactoring
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