lennard-jones-pairwise-js
Pairwise Lennard-Jones potential written in javascript.
API
const lennardJones = require('lennard-jones-pairwise-js');
const lj = lennardJones({
depth: 1.0,
length: 1.0,
cutoff: undefined
});| Option | Type | Default | Description |
|---|---|---|---|
| depth | float | 1.0 | The depth of the potential well. |
| length | float | 1.0 | The distance at which the potential is the smallest value. |
| cutoff | float | undefined | Disabled when undefined. When defined, is the distance at which the potential is forced to zero. |
Returns a function that calculates the Lennard-Jones potential and force at a given distance:
const result = lj(distance);| Parameter | Type | Description |
|---|---|---|
| distance | float | The distance at which to calculate the Lennard-Jones potential. |
Returns an object containing the energy and force at the given distance:
| Name | Type | Description |
|---|---|---|
| result.energy | float | The energy of the potential at the given distance. |
| result.force | float | The force of the potential at the given distance. |