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subroutine, public | matrix_exp::taylor_only_imaginary (exp_H, im_matrix, nsquare, ntaylor) |
| specialized subroutine for purely imaginary matrix exponentials More...
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subroutine, public | matrix_exp::taylor_full_complex (exp_H, re_part, im_part, nsquare, ntaylor) |
| subroutine for general complex matrix exponentials on input a separate cp_fm_type for real and complex part on output a size 2 cp_fm_type, first element is the real part of the exponential second the imaginary More...
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subroutine, public | matrix_exp::get_nsquare_norder (norm, nsquare, norder, eps_exp, method, do_emd) |
| optimization function for pade/taylor order and number of squaring steps More...
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subroutine, public | matrix_exp::exp_pade_full_complex (exp_H, re_part, im_part, nsquare, npade) |
| exponential of a complex matrix, calculated using pade approximation together with scaling and squaring More...
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subroutine, public | matrix_exp::exp_pade_only_imaginary (exp_H, im_part, nsquare, npade) |
| exponential of a complex matrix, calculated using pade approximation together with scaling and squaring More...
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subroutine, public | matrix_exp::exp_pade_real (exp_H, matrix, nsquare, npade) |
| exponential of a real matrix, calculated using pade approximation together with scaling and squaring More...
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subroutine, public | matrix_exp::arnoldi (mos_old, mos_new, eps_exp, Hre, Him, mos_next, narn_old) |
| exponential of a complex matrix, calculated using arnoldi subspace method (directly applies to the MOs) More...
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