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

Modules

module  imaginary_time
 This module containes subroutines and functions necessary for imaginary time path integral calculations.
 

Functions/Subroutines

subroutine imaginary_time::get_covariance_matrix (covariance_matrix, beta)
 This subroutine calculated the cavariance matrix for imaginary time path integral simulation for equilibrium reduced density matrix calculations. It is the imaginary time version of the force autocorrelation function of the harmonic bath. Each state has its own bath. More...