rt_propagation_types.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Data Types
type	rt_propagation_types::rt_prop_type

Modules
module	rt_propagation_types
	Types and set_get for real time propagation depending on runtype and diagonalization method different matrices are allocated exp_H_old, exp_H_new, mos_new, mos_old contain always real and imaginary parts of the matrices odd index = real part (alpha, beta spin) even index= imaginary part (alpha, beta spin)

Functions/Subroutines
subroutine, public	rt_propagation_types::rt_prop_create (rtp, mos, mpools, dft_control, template, linear_scaling, mos_aux)
	...
subroutine, public	rt_propagation_types::rtp_create_sinvh_imag (rtp, nspins)
	Initialize SinvH_imag for rtp.
subroutine, public	rt_propagation_types::rt_prop_create_mos (rtp, mos, mpools, dft_control, mos_aux, init_mos_old, init_mos_new, init_mos_next, init_mos_admn)
	Initialize the mos for rtp.
subroutine, public	rt_propagation_types::get_rtp (rtp, exp_h_old, exp_h_new, h_last_iter, rho_old, rho_next, rho_new, mos, mos_new, mos_old, mos_next, s_inv, s_half, s_minus_half, b_mat, c_mat, propagator_matrix, mixing, mixing_factor, s_der, dt, nsteps, sinvh, sinvh_imag, sinvb, admm_mos)
	...
subroutine, public	rt_propagation_types::rt_prop_release (rtp)
	...
subroutine, public	rt_propagation_types::rt_prop_release_mos (rtp)
	Deallocated the mos for rtp...
subroutine, public	rt_propagation_types::rtp_history_create (rtp, aspc_order)
	...