| # | Line 48 | Line 48 | |
|---|---|---|
| 48 | #include "utils/NumericConstant.hpp" | |
| 49 | #include "io/DumpReader.hpp" | |
| 50 | #include "primitives/Molecule.hpp" | |
| 51 | + | #include "brains/Thermo.hpp" |
| 52 | #include <math.h> | |
| 53 | ||
| 54 | namespace OpenMD { | |
| # | Line 88 | Line 89 | namespace OpenMD { | |
| 89 | StuntDouble* sd; | |
| 90 | reader.readFrame(istep); | |
| 91 | currentSnapshot_ = info_->getSnapshotManager()->getCurrentSnapshot(); | |
| 92 | < | Vector3d CenterOfMass = info_->getCom(); |
| 92 | > | Thermo thermo(info_); |
| 93 | > | Vector3d CenterOfMass = thermo.getCom(); |
| 94 | ||
| 95 | ||
| 96 | if (evaluator_.isDynamic()) { | |
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |