ls_matrix_exp.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Modules
module	ls_matrix_exp
	Routines for calculating a complex matrix exponential with dbcsr matrices. Based on the code in matrix_exp.F from Florian Schiffmann.

Functions/Subroutines
subroutine, public	ls_matrix_exp::cp_complex_dbcsr_gemm_3 (transa, transb, alpha, a_re, a_im, b_re, b_im, beta, c_re, c_im, filter_eps)
	Convenience function. Computes the matrix multiplications needed for the multiplication of complex sparse matrices. C = beta * C + alpha * ( A ** transa ) * ( B ** transb )
subroutine, public	ls_matrix_exp::taylor_only_imaginary_dbcsr (exp_h, im_matrix, nsquare, ntaylor, filter_eps)
	specialized subroutine for purely imaginary matrix exponentials
subroutine, public	ls_matrix_exp::taylor_full_complex_dbcsr (exp_h, re_part, im_part, nsquare, ntaylor, filter_eps)
	subroutine for general complex matrix exponentials on input a separate dbcsr_type for real and complex part on output a size 2 dbcsr_p_type, first element is the real part of the exponential second the imaginary
subroutine, public	ls_matrix_exp::bch_expansion_imaginary_propagator (propagator, density_re, density_im, filter_eps, filter_eps_small, eps_exp)
	The Baker-Campbell-Hausdorff expansion for a purely imaginary exponent (e.g. rtp) Works for a non unitary propagator, because the density matrix is hermitian.
subroutine, public	ls_matrix_exp::bch_expansion_complex_propagator (propagator_re, propagator_im, density_re, density_im, filter_eps, filter_eps_small, eps_exp)
	The Baker-Campbell-Hausdorff expansion for a complex exponent (e.g. rtp) Works for a non unitary propagator, because the density matrix is hermitian.