| version 1.1052 | version 1.1053 |
|---|
| |
| 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; |