AMDAT

crosscorrelate_value_lists

Function

Computes the normalized time-dependent crosscorrelation function between two value lists. If a quantity $A$ is stored in the first value_list and the a quantity $B$ in the second, then their crosscorrelation function $C_{AB}(\Delta t)$ is given by

\[C_{AB}(\Delta t) = \frac{1}{\langle A \rangle \langle B \rangle} \sum_{k=1}^{S} \frac{1}{N(s)} \sum_{i=1}^{N(s)} (\{B_i}(s_k+\Delta t)\{A_i}(s_k))\]

where S is the number of start times employed, N is the number of particles in list A, ${A}_i(t)$ is the value stored in the list for particle $i$ at time $t$, and $\Delta t$ is a timegap. This tool fundamentally loops over atoms defined in value_list A. Thus, for this tool to work properly, a value in list B must be defined for each particle in list A.

Syntax

Syntax is as follows.

crosscorrelate_value_lists <correlation type keyword> <output file> <name of valuelist A> <name of valuelist B>

<correlation type keyword> may be either dynamic or static. When dynamic, the full calculation above is performed for all possible $\Delta t$. When static, only $\Delta t = 0$ is computed.