version 1.1066 | version 1.1067 |
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} | } |
| |
| #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 |