# | Line 42 | Line 42 | |
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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); |
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