--- branches/development/src/io/DumpWriter.cpp 2011/09/14 21:15:17 1629 +++ branches/development/src/io/DumpWriter.cpp 2012/05/19 13:30:21 1712 @@ -36,7 +36,8 @@ * [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). * [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). * [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008). - * [4] Vardeman & Gezelter, in progress (2009). + * [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). + * [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). */ #include "io/DumpWriter.hpp" @@ -61,6 +62,7 @@ namespace OpenMD { needCompression_ = simParams->getCompressDumpFile(); needForceVector_ = simParams->getOutputForceVector(); needParticlePot_ = simParams->getOutputParticlePotential(); + cerr << "DW npp = " << needParticlePot_ << "\n"; createDumpFile_ = true; #ifdef HAVE_LIBZ if (needCompression_) { @@ -100,6 +102,7 @@ namespace OpenMD { needCompression_ = simParams->getCompressDumpFile(); needForceVector_ = simParams->getOutputForceVector(); + needParticlePot_ = simParams->getOutputParticlePotential(); createDumpFile_ = true; #ifdef HAVE_LIBZ if (needCompression_) {