| 70 |
|
} |
| 71 |
|
|
| 72 |
|
std::vector<Atom*> getAtoms() { return cutoffAtomList; } |
| 73 |
< |
double getMass() { |
| 73 |
> |
RealType getMass() { |
| 74 |
|
std::vector<Atom *>::iterator i; |
| 75 |
|
Atom * atom; |
| 76 |
< |
double mass; |
| 76 |
> |
RealType mass; |
| 77 |
|
|
| 78 |
|
if (!haveTotalMass) { |
| 79 |
|
totalMass = 0; |
| 93 |
|
std::vector<Atom *>::iterator i; |
| 94 |
|
Atom * atom; |
| 95 |
|
Vector3d pos; |
| 96 |
< |
double mass; |
| 96 |
> |
RealType mass; |
| 97 |
|
|
| 98 |
|
com[0] = 0; |
| 99 |
|
com[1] = 0; |
| 129 |
|
|
| 130 |
|
std::vector<Atom *>cutoffAtomList; |
| 131 |
|
bool haveTotalMass; |
| 132 |
< |
double totalMass; |
| 132 |
> |
RealType totalMass; |
| 133 |
|
int globalIndex; |
| 134 |
|
}; |
| 135 |
|
|