matrix_exp.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Modules
module	matrix_exp
	Routines for calculating a complex matrix exponential.

Functions/Subroutines
subroutine, public	matrix_exp::taylor_only_imaginary (exp_h, im_matrix, nsquare, ntaylor)
	specialized subroutine for purely imaginary matrix exponentials
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
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
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
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
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
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)