96 |
|
private: |
97 |
|
int nLocal_; |
98 |
|
int nGroups_; |
99 |
+ |
vector<int> identsLocal; |
100 |
|
vector<int> AtomLocalToGlobal; |
101 |
|
vector<int> cgLocalToGlobal; |
102 |
|
vector<RealType> pot_local; |
137 |
|
vector<int> identsRow; |
138 |
|
vector<int> identsCol; |
139 |
|
|
140 |
+ |
vector<AtomType*> atypesRow; |
141 |
+ |
vector<AtomType*> atypesCol; |
142 |
+ |
|
143 |
|
vector<int> AtomRowToGlobal; |
144 |
|
vector<int> AtomColToGlobal; |
145 |
|
|
158 |
|
vector<vector<int> > skipsForRowAtom; |
159 |
|
vector<vector<int> > toposForRowAtom; |
160 |
|
vector<vector<int> > topoDistRow; |
157 |
– |
|
158 |
– |
|
161 |
|
#endif |
162 |
|
|
163 |
|
}; |