version 1.1052 | version 1.1053 |
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| |
unsigned int isWater : 1; // 0 = particle is not in water, 1 = is in water | unsigned int isWater : 1; // 0 = particle is not in water, 1 = is in water |
}; | }; |
| |
| #ifdef NAMD_KNL |
| struct CompAtomFlt { |
| FloatVector position; |
| int32 nonbondedGroupSize; |
| |
| inline CompAtomFlt& operator=(const CompAtom& a) { |
| position = a.position; |
| nonbondedGroupSize = a.nonbondedGroupSize; |
| } |
| }; |
| #endif |
| |
//CompAtomExt is now needed even in normal case | //CompAtomExt is now needed even in normal case |
//for changing the packed msg type related to | //for changing the packed msg type related to |
//ProxyPatch into varsize msg type where | //ProxyPatch into varsize msg type where |
| |
typedef ResizeArray<CudaAtom> CudaAtomList; | typedef ResizeArray<CudaAtom> CudaAtomList; |
typedef ResizeArray<CompAtom> CompAtomList; | typedef ResizeArray<CompAtom> CompAtomList; |
typedef ResizeArray<CompAtomExt> CompAtomExtList; | typedef ResizeArray<CompAtomExt> CompAtomExtList; |
| #ifdef NAMD_KNL |
| typedef ResizeArray<CompAtomFlt> CompAtomFltList; |
| #endif |
typedef ResizeArray<FullAtom> FullAtomList; | typedef ResizeArray<FullAtom> FullAtomList; |
typedef ResizeArray<InputAtom> InputAtomList; | typedef ResizeArray<InputAtom> InputAtomList; |
typedef ResizeArray<Position> PositionList; | typedef ResizeArray<Position> PositionList; |