sVatom Struct Reference
[Vatom class]

Contains public data members for Vatom class/module. More...

#include <vatom.h>

Data Fields
double	position [3]
double	radius
double	charge
double	partID
int	id

---

Detailed Description

Contains public data members for Vatom class/module.

Author:

Nathan Baker

---

Field Documentation

double sVatom::charge

Atomic charge

int sVatom::id

Atomic ID; this should be a unique non-negative integer assigned based on the index of the atom in a Valist atom array

double sVatom::partID

Partition value for assigning atoms to particular processors and/or partitions

double sVatom::position[3]

Atomic position

double sVatom::radius

Atomic radius

---

The documentation for this struct was generated from the following file:

• vatom.h

---