espressopp.standard_system.PolymerMelt

espressopp.standard_system.PolymerMelt(num_chains, monomers_per_chain, box, bondlen, rc, skin, dt, epsilon, sigma, shift, temperature, xyzfilename, xyzrfilename)

Parameters:

• num_chains

• monomers_per_chain

• box – (default: (000))

• bondlen (real) – (default: 0.97)

• rc (real) – (default: 1.12246)

• skin (real) – (default: 0.3)

• dt (real) – (default: 0.005)

• epsilon (real) – (default: 1.0)

• sigma (real) – (default: 1.0)

• shift – (default: ‘auto’)

• temperature – (default: None)

• xyzfilename – (default: None)

• xyzrfilename – (default: None)

returns random walk polymer melt system and integrator: if tempearture is != None then Langevin thermostat is set to temperature (gamma is 1.0)