# lennard-jones-pairwise-js

Pairwise Lennard-Jones potential written in javascript.

## API

```js
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:

```js
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.  |


Pairwise lennard-jones potential in javascript. 

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Pairwise lennard-jones potential in javascript.

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@atomistics/lennard-jones-pairwise-js

lennard-jones-pairwise-js

API

Keywords

Related posts

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.

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.

@atomistics/lennard-jones-pairwise-js

lennard-jones-pairwise-js

API

Keywords

Related posts

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