windows Module Reference

Module that contains the subroutines and functions to perform SQC windowing calculations. More...

Functions/Subroutines
subroutine	initialize_windows
	Allocate the windowing arrays and set initial tolls (for normalizing the density matrix) to 0. More...
subroutine	finalize_windows
	Deallocate the windowing arrays. More...
subroutine	sample_sqc_map (x_init, p_init)
	Sample the initial distribution of mapping variables for truncated wigner approximation in action-angle variables with broadened windows. More...
complex(dp) function, dimension(nstate, nstate)	sqc_redmat (x, p, itime)
	Calculate the reduced density matrix using SQC. More...
subroutine	normalize_sqc_redmat (redmat)
	Normalize the reduced density matrix using toll/od_toll from sqc_redmat. More...

Detailed Description

Module that contains the subroutines and functions to perform SQC windowing calculations.

Function/Subroutine Documentation

finalize_windows()

subroutine windows::finalize_windows

(

)

Deallocate the windowing arrays.

initialize_windows()

subroutine windows::initialize_windows

(

)

Allocate the windowing arrays and set initial tolls (for normalizing the density matrix) to 0.

normalize_sqc_redmat()

subroutine windows::normalize_sqc_redmat

(

complex(dp), dimension( nstate, nstate, 0 : nbstep / dump )

redmat

)

Normalize the reduced density matrix using toll/od_toll from sqc_redmat.

sample_sqc_map()

subroutine windows::sample_sqc_map	(	real(dp), dimension(nstate), intent(out)	x_init,
		real(dp), dimension(nstate), intent(out)	p_init
	)

Sample the initial distribution of mapping variables for truncated wigner approximation in action-angle variables with broadened windows.

sqc_redmat()

complex(dp) function, dimension( nstate, nstate ) windows::sqc_redmat	(	real(dp), dimension(nstate), intent(in)	x,
		real(dp), dimension(nstate), intent(in)	p,
		integer	itime
	)

Calculate the reduced density matrix using SQC.