--- trunk/src/io/DumpReader.cpp 2014/02/26 14:14:50 1969 +++ trunk/src/io/DumpReader.cpp 2015/03/05 16:30:23 2069 @@ -103,8 +103,8 @@ namespace OpenMD { #ifdef IS_MPI if (worldRank == 0) { -#endif - +#endif + delete inFile_; #ifdef IS_MPI @@ -245,7 +245,6 @@ namespace OpenMD { readSet(whichFrame); if (needCOMprops_) { - Snapshot* s = info_->getSnapshotManager()->getCurrentSnapshot(); Thermo thermo(info_); Vector3d com; @@ -510,6 +509,13 @@ namespace OpenMD { sd->setElectricField(eField); break; } + case 's' : { + + RealType sPot; + sPot = tokenizer.nextTokenAsDouble(); + sd->setSitePotential(sPot); + break; + } default: { sprintf(painCave.errMsg, "DumpReader Error: %s is an unrecognized type\n", type.c_str()); @@ -612,6 +618,13 @@ namespace OpenMD { sd->setElectricField(eField); break; } + case 's' : { + + RealType sPot; + sPot = tokenizer.nextTokenAsDouble(); + sd->setSitePotential(sPot); + break; + } default: { sprintf(painCave.errMsg, "DumpReader Error: %s is an unrecognized type\n", type.c_str()); @@ -624,7 +637,7 @@ namespace OpenMD { } - void DumpReader::readStuntDoubles(std::istream& inputStream) { + void DumpReader::readStuntDoubles(std::istream& inputStream) { inputStream.getline(buffer, bufferSize); std::string line(buffer);