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 |
|
|