--- trunk/src/applications/nanoparticleBuilder/nanoparticleBuilder.cpp 2006/01/18 21:08:35 874 +++ trunk/src/applications/nanoparticleBuilder/nanoparticleBuilder.cpp 2006/01/19 22:54:23 875 @@ -105,7 +105,7 @@ int main(int argc, char *argv []) { DumpWriter *writer; - // parse command line arguments + // Parse Command Line Arguments if (cmdline_parser(argc, argv, &args_info) != 0) exit(1); @@ -168,11 +168,11 @@ int main(int argc, char *argv []) { /*determine the output file names*/ - if (args_info.output_given) + if (args_info.output_given){ outInitFileName = args_info.output_arg; - else + }else{ outInitFileName = getPrefix(inputFileName.c_str()) + ".in"; - + } @@ -185,9 +185,9 @@ int main(int argc, char *argv []) { nanoparticle = new sphericalNanoparticle(particleRadius,latticeConstant); /* Build a nanoparticle to see how many sites are there */ numSites = new int[nComponents] - nanoparticle.getNMol(numSites); + int numSites = nanoparticle.getNMol(simpleLat); - numMol = new int[nComponents]; + /* Random particle is the default case*/ if (!args_info.ShellRadius_given){ std::cout << "Creating a random nanoparticle" << std::endl;