SSCHAcode / python-sscha

The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).
GNU General Public License v3.0
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Added the parallelization and smart symmetrization #33

Closed mesonepigreco closed 3 years ago

mesonepigreco commented 3 years ago

Now the new finite-temperature Lanczos can be executed in parallel. Moreover, I also implemented the smart symmetrization that prevents the storage of the full replica of the ensemble (they are computed on the fly). Thanks to the sparseness of the symmetries in the polarization basis, the computation of the replica are very fast (scales as N, while the average calculation scales as N^2)