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Batchify Lanczos

Nicolas Tancogne-Dejean requested to merge lanczos_batch into develop

Description

Batchification of the Lanczos exponential method. This heavily optimize this path in the code as it allows to

  • apply the phase in batch mode
  • apply the Hamiltonian over batches
  • perform Gram-Schmidt orthogonalization in batches
  • use GPU acceleration

The new version will be used for most of the propagators, with the exception of ETRS and ETRSsc, as this would require a bit more work to have the combined two exponentials working efficiently.

Closes #163 (closed).

News snippet

Batchification of the Lanczos exponential method for improved performances.

Checklist

  • I have checked that my code follows the Octopus coding standards
  • I have added tests for all the new features added in this request.

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