| version 1.1027 | version 1.1028 |
|---|
| |
| CompAtom* p[2]; | CompAtom* p[2]; |
| Results* r[2]; | Results* r[2]; |
| int i; | int i; |
| int numData; | |
| | |
| // Open up positionBox, forceBox, and atomBox | // Open up positionBox, forceBox, and atomBox |
| for (i=0; i<2; i++) { | for (i=0; i<2; i++) { |
| p[i] = positionBox[i]->open(&numData); | p[i] = positionBox[i]->open(); |
| if (numData != numAtoms[i]) { | |
| | |
| DebugM(5,"Interesting, doWork has opened a position box with wrong # atoms (" | |
| <<numData<<" vs " << numAtoms << "\n"); | |
| } | |
| r[i] = forceBox[i]->open(); | r[i] = forceBox[i]->open(); |
| } | } |
| | |