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

Modules

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

Functions/Subroutines

subroutine windows::initialize_windows
 Allocate the windowing arrays and set initial tolls (for normalizing the density matrix) to 0. More...
 
subroutine windows::finalize_windows
 Deallocate the windowing arrays. More...
 
subroutine windows::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) windows::sqc_redmat (x, p, itime)
 Calculate the reduced density matrix using SQC. More...
 
subroutine windows::normalize_sqc_redmat (redmat)
 Normalize the reduced density matrix using toll/od_toll from sqc_redmat. More...