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  • Nicolas Tancogne-Dejean's avatar
    Revisiting the evolution eigensolver. · 817d2de7
    Nicolas Tancogne-Dejean authored
    This commit contains few bugfixes:
     - The Taylor expansion for imaginary time was not correct.
     - The code was wrongly mixing the density between timesteps of the evolution
     - The code was doing a subspace diagonalization which is not correct
     - The orthonormalization routine was not stable and is replaced by the standard orthogonalization.
     - The code was freezing states once converged, which is not correct unless independent particles
    
    Besides this, the code now check that the exponential is stable. The default time-step is set to a valid
    close to the one shown in the litterature.
    817d2de7