Reversible reference system propagation algorithm
Encyclopedia
Reversible reference system propagation algorithm (r-RESPA) is a time stepping algorithm
used in molecular dynamics
.
It evolves the system state over time,
where the L is the Liouville operator.
Algorithm
In mathematics and computer science, an algorithm is an effective method expressed as a finite list of well-defined instructions for calculating a function. Algorithms are used for calculation, data processing, and automated reasoning...
used in molecular dynamics
Molecular dynamics
Molecular dynamics is a computer simulation of physical movements of atoms and molecules. The atoms and molecules are allowed to interact for a period of time, giving a view of the motion of the atoms...
.
It evolves the system state over time,
where the L is the Liouville operator.