| version 1.6 | version 1.7 |
|---|
| |
| CompAtom* p; | CompAtom* p; |
| Results* r; | Results* r; |
| FullAtom* a = homePatch->getAtomList().begin(); | FullAtom* a = homePatch->getAtomList().begin(); |
| int numData; | |
| | |
| DebugM(3,patchID << ": doWork() called.\n"); | DebugM(3,patchID << ": doWork() called.\n"); |
| | |
| // Open up positionBox, forceBox, and atomBox | // Open up positionBox, forceBox, and atomBox |
| p = positionBox->open(&numData); | p = positionBox->open(); |
| if (numData != numAtoms) { | |
| NAMD_bug("doWork has opened a position box with wrong # atoms."); | |
| } | |
| r = forceBox->open(); | r = forceBox->open(); |
| | |
| // Pass pointers to doForce | // Pass pointers to doForce |