Settings.cfg

Settings.cfg

List of Options

This file is where all project and force parameters should be specified. This page contains the list for all currently defined configuration options by category. Most settings have a default value. The program will notify when a default value is being used.

System Configuration

trialName (string)

A string containing the absolute path of the simulation output.

nParticles (integer)

The number of particles to place in the system

timeStep (double) less than one

A number at which to use as the finite increment of time for integration.

gamma (double)

The friction coefficient of the Langevin equation.

temp (double) Usually 1

The system temperature. This is generally always 1.

conc (double)

The system concentration as percent volume.

scale (integer)

The size of a grid element. Not that this should never be less than the effective range of your input forces.

seed (integer)

The seed for all random number generators.

radius (double)

The radius of the particles in the system. Is typically 0.5.

mass (double)

The mass of the particles in the system. Is typically 1.

Integrator (string)

The integration scheme to be used. Currently only brownianIntegrator is a supported option.

force (string)

The name of the file containing the force library. Forces included with PSim are Cal (Calibration/Soft-Shell), LJ (Extended Lennard-Jones), and `AO' (Asakura-Oosawa).

XYZ (boolean)

A boolean value of whether to create xyz out of each cluster in the system.

threads (integer)

The number of threads to distribute across.

outFreq (integer)

The number of iterations between generating an output snapshot. Recommended to be an integer multiple of timeStep

AO Potential

cutOff (double)

The range after which the potential is considered effectively zero.

kT (double)

The depth of the AO Potential well.

Lennard-Jones Potential

ljNum (integer)

The base exponent of the extended Lennard-Jones potential.

yukawaStrength (double)

The coefficient of a repulsive Yukawa Potential being added to the Lennard-Jones Potential.

debyeLength (double)

The exponential decay rate of the Yukawa Potential.

cutOff (double)

The range after which the potential is considered effectively zero.