116 |
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virtual Vector3d getInteratomicVector(int atom1, int atom2) = 0; |
117 |
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118 |
|
// atom bookkeeping |
119 |
< |
virtual vector<int> getAtomList() = 0; |
120 |
< |
virtual vector<int> getSkipsForAtom(int atom1) = 0; |
119 |
> |
virtual int getNAtomsInRow() = 0; |
120 |
> |
virtual vector<int> getSkipsForRowAtom(int atom1) = 0; |
121 |
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virtual bool skipAtomPair(int atom1, int atom2) = 0; |
122 |
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virtual void addForceToAtomRow(int atom1, Vector3d fg) = 0; |
123 |
|
virtual void addForceToAtomColumn(int atom2, Vector3d fg) = 0; |
131 |
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SimInfo* info_; |
132 |
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SnapshotManager* sman_; |
133 |
|
Snapshot* snap_; |
134 |
+ |
ForceField* ff_; |
135 |
|
int storageLayout_; |
136 |
|
RealType skinThickness_; /**< Verlet neighbor list skin thickness */ |
137 |
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