rt_propagator_init Module Reference

Routines for that prepare rtp and EMD. More...

Functions/Subroutines
subroutine, public	init_propagators (qs_env)
	prepares the initial matrices for the propagators
subroutine, public	rt_initialize_rho_from_mos (rtp, mos, mos_old)
	Computes the density matrix from the mos Update: Initialized the density matrix from complex mos (for instance after delta kick)

Detailed Description

Routines for that prepare rtp and EMD.

Author

Florian Schiffmann (02.09)

Function/Subroutine Documentation

init_propagators()

subroutine, public rt_propagator_init::init_propagators

(

type(qs_environment_type), pointer

qs_env

)

prepares the initial matrices for the propagators

Parameters

qs_env

...

Author

Florian Schiffmann (02.09)

Definition at line 79 of file rt_propagator_init.F.

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rt_initialize_rho_from_mos()

subroutine, public rt_propagator_init::rt_initialize_rho_from_mos	(	type(rt_prop_type), pointer	rtp,
		type(mo_set_type), dimension(:), pointer	mos,
		type(cp_fm_type), dimension(:), optional, pointer	mos_old
	)

Computes the density matrix from the mos Update: Initialized the density matrix from complex mos (for instance after delta kick)

Parameters

rtp	...
mos	...
mos_old	...

Author

Samuel Andermatt (08.15)

Guillaume Le Breton (01.23)

Definition at line 431 of file rt_propagator_init.F.

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