| # | Line 42 | Line 42 | |
|---|---|---|
| 42 | #include <cmath> | |
| 43 | ||
| 44 | ||
| 45 | – | #include "integrators/Integrator.cpp" |
| 45 | #include "io/StatWriter.hpp" | |
| 46 | #include "minimizers/Minimizer.hpp" | |
| 47 | #include "primitives/Molecule.hpp" | |
| # | Line 834 | Line 833 | void Minimizer::minimize() { | |
| 833 | int writeFrq; | |
| 834 | int nextWriteIter; | |
| 835 | Snapshot* curSnapshot =info->getSnapshotManager()->getCurrentSnapshot(); | |
| 836 | < | DumpWriter dumpWriter(info, info->getDumpFileName()); |
| 836 | > | DumpWriter dumpWriter(info); |
| 837 | StatsBitSet mask; | |
| 838 | mask.set(Stats::TIME); | |
| 839 | mask.set(Stats::POTENTIAL_ENERGY); | |
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |