Path integral mode can be run only in parallel using number of processors equal to the number of beads in the path integral representation of quantum particles. The number of beads should be even.

`PIMD <num. of beads>`

Use PIMD mode with the given number of beads

`PI_thermo <temp> <tau> <chain>`

Use Nose chain of thermostats for each atom. This is preferable option instead of the common Nose thermostat for all atoms.

`<temp>`

is the target temperature,`<tau>`

is the relaxation time for the thermostats and`<chain>`

is the number of thermostats in each chain. If this option is specified, Nose_thermostat option is ignored.

Alexander Lyubartsev 2010-01-07