# | Line 36 | Line 36 | |
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36 | * [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). | |
37 | * [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). | |
38 | * [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008). | |
39 | < | * [4] Vardeman & Gezelter, in progress (2009). |
39 | > | * [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). |
40 | > | * [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). |
41 | */ | |
42 | ||
43 | #include "io/DumpWriter.hpp" | |
# | Line 61 | Line 62 | namespace OpenMD { | |
62 | needCompression_ = simParams->getCompressDumpFile(); | |
63 | needForceVector_ = simParams->getOutputForceVector(); | |
64 | needParticlePot_ = simParams->getOutputParticlePotential(); | |
65 | + | cerr << "DW npp = " << needParticlePot_ << "\n"; |
66 | createDumpFile_ = true; | |
67 | #ifdef HAVE_LIBZ | |
68 | if (needCompression_) { |
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