MQDS  0.0.1
Molecular Quantum Dynamics and Spectroscopy
Modules | Functions/Subroutines | Variables
input_output.f90 File Reference

Modules

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

Functions/Subroutines

subroutine input_output::write_redmat (method, redmat, printstep)
 Writes the reduced density matrix using the method, redmat, and size of timestep between prints (fs) More...
 
subroutine input_output::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 input_output::write_equilibrium_site_populations (populations)
 
subroutine input_output::write_nonlinear_response (method, response, dt1, dt2, dt3)
 
subroutine input_output::read_input
 

Variables

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