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Sebastian Ohlmann authored
Use scalapack or elpa for solving the eigenproblem in the Casida run mode. For this, the whole parallelization is adapted to work both with and without scalapack/elpa. To use this feature, set CasidaUseScalapackLayout to true. With CasidaParallelEigensolver, one can control if the eigensolver from Scalapack or from ELPA should be used. Solving the eigenproblem in parallel is of advantage if the matrix size becomes larger than a few thousand. This parallelization can be used together with domain parallelization. Tests for this feature are added in the testsuite.
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