Synopsis

NphIntegrator implements a reversible NPH (constant enthalpy, constant pressure) integrator. See class documentation for further details, an explanation of modes of operation, and a literature reference.

See also: DdMd::NphIntegrator

Parameters

The parameter file format is:

NphIntegrator{ 
  dt                 double
  W                  double
  mode               Util::LatticeSystem
}

in which

dt	time step
W	barostat mass, as in Anderson barostat
mode	Determines number of independent dimensions. Can take values "Cubic", "Tetragonal" or "Orthorhombic".

See the DdMd::NphIntegrator class documentation for further discussion of the mode parameter.