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  • giannozz's avatar
    Two more routines computing gradients collected into gradutils, duplicated · 663e3f1d
    giannozz authored
    versions deleted: "fft_qgradient" and "fft_qgraddot". These are the versions
    of fft_gradient_r2r and fft_graddot for complex arrays with exp(iqr) behavior,
    fr usage in the phonon code (gradient of Delta rho at finite q). Note that in
    phonon, indices of drho_gradient have been reversed as well in vdW-DF routines,
    and that the call to dgradcorr has been changed (dfftp is passed as argument)
    663e3f1d