10.1. Langevin Dissipative¶
10.1.1. Functional Form¶
The Langevin dissipative potential has the functional form:
\(E=\gamma\)
The force-field parameters for this potential and units are given by:
| Equation Symbol | Parameter Definition | Units |
| \(\gamma\) | Langevin thermostat | mass/time |
10.1.2. XML Schema¶
The XML schema for the Langevin dissipative potential has the following representation (design mode representation using Liquid XML Studio):
The relationship between the equation symbols and XML schema notations are given by:
| Parameter Definition | Equation Symbol | Schema Notation |
| Atom type of atom [i] | \(i\) | AT-1 |
| Atom type of atom [j] | \(j\) | AT-2 |
| Langevin thermostat | \(\gamma\) | gamma |
The general attributes (describing the entire data set) are given by:
| General Attributes | Cardinality | Value/Definition |
| style | Fixed | Langevin |
| formula | Fixed | gamma |
| gamma-units | Required | Enumerations specified in schema |
The specific attributes (attached to each set of parameters) are given by:
| Specific Attributes | Cardinality | Value/Definition |
| comment | Optional | Comment attached to parameter set |
| version | Optional | Version number of parameter set |
| reference | Optional | Reference attached to parameter set |
Note that an XML document will be rejected from being entered into the WebFF database if a required attribute is left unspecified.