input_output Module Reference

This is a module that contains input/output filenames, variables, and subroutines for the mqds package. More...

Functions/Subroutines
subroutine	write_redmat (method, redmat, printstep)
	Writes the reduced density matrix using the method, redmat, and size of timestep between prints (fs) More...
subroutine	write_linear_response (method, resp_func, printstep)
	Writes the linear response function using the method, response function, and size of timestep between prints (fs) More...
subroutine	write_equilibrium_site_populations (populations)
subroutine	write_nonlinear_response (method, response, dt1, dt2, dt3)
subroutine	read_input

Variables
character(20), parameter	input ='run.in'
character(20), parameter	inphel ='hel.in'
character(20), parameter	couplings ='couplings.in'
character(20), parameter	spectralin ='continuumsd.in'
character(20), parameter	spectralout ='sampledbath.log'
character(20), parameter	dipolein ='dipole.in'
character(20), parameter	errorlog ='error.log'
character(20), parameter	equilibrium ='equilibrium_site.out'
integer	ntraj
integer	nbstep
integer	nlit
integer	dump
integer	nstate
integer	initstate
integer	initstatet
integer	ndof
integer	tdim
integer	ndisc
integer	nslice
integer	nbath
integer	nosc
real(dp)	runtime
real(dp)	temperature
real(dp)	zpe
real(dp)	window
integer	nbstep1
integer	nbstep2
integer	nbstep3
integer	branch1
integer	branch2
integer	branch3
real(dp)	tdelay1
real(dp)	tdelay2
real(dp)	tdelay3
character(10)	calculation
character(20)	method
character(20)	windowshape
character(20)	basis
character(20)	bath
character(1)	cdum

Detailed Description

This is a module that contains input/output filenames, variables, and subroutines for the mqds package.

Function/Subroutine Documentation

read_input()

subroutine input_output::read_input

(

)

write_equilibrium_site_populations()

subroutine input_output::write_equilibrium_site_populations

(

real(dp), dimension(:), intent(in)

populations

)

write_linear_response()

subroutine input_output::write_linear_response	(	character(20)	method,
		complex(dp), dimension( 0 : nbstep / dump ), intent(in)	resp_func,
		real(dp), intent(in)	printstep
	)

Writes the linear response function using the method, response function, and size of timestep between prints (fs)

write_nonlinear_response()

subroutine input_output::write_nonlinear_response	(	character(20)	method,
		complex(dp), dimension( 8, 0 : int(nbstep1/branch1), 0 : int(nbstep2/branch2), 0 : int(nbstep3/branch3) ), intent(in)	response,
		real(dp), intent(in)	dt1,
		real(dp), intent(in)	dt2,
		real(dp), intent(in)	dt3
	)

write_redmat()

subroutine input_output::write_redmat	(	character(20)	method,
		complex(dp), dimension(:,:,:), intent(in)	redmat,
		real(dp), intent(in)	printstep
	)

Writes the reduced density matrix using the method, redmat, and size of timestep between prints (fs)

Variable Documentation

basis

character(20) input_output::basis

bath

character(20) input_output::bath

branch1

integer input_output::branch1

branch2

integer input_output::branch2

branch3

integer input_output::branch3

calculation

character(10) input_output::calculation

cdum

character(1) input_output::cdum

couplings

character(20), parameter input_output::couplings ='couplings.in'

dipolein

character(20), parameter input_output::dipolein ='dipole.in'

dump

integer input_output::dump

equilibrium

character(20), parameter input_output::equilibrium ='equilibrium_site.out'

errorlog

character(20), parameter input_output::errorlog ='error.log'

initstate

integer input_output::initstate

initstatet

integer input_output::initstatet

inphel

character(20), parameter input_output::inphel ='hel.in'

input

character(20), parameter input_output::input ='run.in'

method

character(20) input_output::method

nbath

integer input_output::nbath

nbstep

integer input_output::nbstep

nbstep1

integer input_output::nbstep1

nbstep2

integer input_output::nbstep2

nbstep3

integer input_output::nbstep3

ndisc

integer input_output::ndisc

ndof

integer input_output::ndof

nlit

integer input_output::nlit

nosc

integer input_output::nosc

nslice

integer input_output::nslice

nstate

integer input_output::nstate

ntraj

integer input_output::ntraj

runtime

real(dp) input_output::runtime

spectralin

character(20), parameter input_output::spectralin ='continuumsd.in'

spectralout

character(20), parameter input_output::spectralout ='sampledbath.log'

tdelay1

real(dp) input_output::tdelay1

tdelay2

real(dp) input_output::tdelay2

tdelay3

real(dp) input_output::tdelay3

tdim

integer input_output::tdim

temperature

real(dp) input_output::temperature

window

real(dp) input_output::window

windowshape

character(20) input_output::windowshape

zpe

real(dp) input_output::zpe