| version 1.1066 | version 1.1067 |
|---|
| |
| | |
| } | } |
| | |
| | #ifdef NAMD_KNL |
| | { |
| | const Vector center = lattice.unscale( PatchMap::Object()->center(patchID) ); |
| | const int n = numAtoms; |
| | pFlt.resize(n); |
| | CompAtomFlt * const pf = pFlt.begin(); |
| | #ifdef REMOVE_PROXYDATAMSG_EXTRACOPY |
| | const CompAtom * const pd = positionPtrBegin; |
| | #else |
| | const CompAtom * const pd = p.begin(); |
| | #endif |
| | for ( int i=0; i<n; ++i ) { |
| | pf[i].position.x = pd[i].position.x - center.x; |
| | pf[i].position.y = pd[i].position.y - center.y; |
| | pf[i].position.z = pd[i].position.z - center.z; |
| | } |
| | } |
| | #endif |
| | |
| boxesOpen = 2; | boxesOpen = 2; |
| if ( flags.doMolly ) boxesOpen++; | if ( flags.doMolly ) boxesOpen++; |
| // BEGIN LA | // BEGIN LA |