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Parallel diagonalizer has to be called as an external application #20

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ageorgou opened this issue Jan 29, 2021 · 0 comments
Open

Parallel diagonalizer has to be called as an external application #20

ageorgou opened this issue Jan 29, 2021 · 0 comments
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@ageorgou
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The parallel version of the diagonalizer, PDSYEV, is currently used when the supermatrix is too large for OpenMP to handle. However, it is built as a seperate application, and calling it requires stopping the TROVE workflow.

We should integrate the diagonalizer into this codebase, or use it as a library, so that users can take advantage of it implicitly while calling TROVE as usual.

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