open-source psd molecular-dynamics scientific-computing data-analysis acf post-processing uncertainty-quantification lgpl python-package transport-properties autocorrelation-function svg-py autocorrelation-integral power-spectral-distribution stacie integrated-correlation-time exponential-correlation-time time-correlation characteristic-timescales

python psd dataset acf stepup typst autocorrelation-function worfklow systematic-validation autocorrelation-integral power-spectral-distribution stacie integrated-correlation-time exponential-correlation-time