rpmd_beads

rpmd_beads [number] (optional)

default: 1

The number of ring polymer beads to be used for the current calculation. Used in dynamic, calc_rate and black_box. The default value of 1 denotes a classical calculation.

If more than 1 beads are used, the potential energy and gradient is calculated separately for each replica of the system, resulting in a N-fold more expensive calculation (N=number of beads).