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root/OpenMD/trunk/src/applications/dynamicProps/DynamicProps.cpp
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Comparing trunk/src/applications/dynamicProps/DynamicProps.cpp (file contents):
Revision 1566 by chuckv, Thu May 19 18:12:09 2011 UTC vs.
Revision 1596 by gezelter, Mon Jul 25 17:30:53 2011 UTC

# Line 46 | Line 46
46   #include "brains/Register.hpp"
47   #include "brains/SimCreator.hpp"
48   #include "brains/SimInfo.hpp"
49 + #include "utils/StringUtils.hpp"
50   #include "utils/simError.h"
51  
52   #include "applications/dynamicProps/DynamicPropsCmd.h"
# Line 107 | Line 108 | int main(int argc, char* argv[]){
108      }
109    }
110  
111 +  // use the memory string to figure out how much memory we can use:
112 +  char *end;
113 +  long long int memSize = memparse(args_info.memory_arg, &end);
114 +  sprintf( painCave.errMsg,
115 +           "Amount of memory being used: %llu bytes\n", memSize);
116 +  painCave.severity = OPENMD_INFO;
117 +  painCave.isFatal = 0;
118 +  simError();
119 +    
120    //parse md file and set up the system
121    SimCreator creator;
122    SimInfo* info = creator.createSim(dumpFileName, false);
# Line 114 | Line 124 | int main(int argc, char* argv[]){
124  
125    TimeCorrFunc* corrFunc;
126    if (args_info.dcorr_given){
127 <    corrFunc = new DipoleCorrFunc(info, dumpFileName, sele1, sele2);
127 >    corrFunc = new DipoleCorrFunc(info, dumpFileName, sele1, sele2, memSize);
128    } else if (args_info.rcorr_given) {
129 <    corrFunc = new RCorrFunc(info, dumpFileName, sele1, sele2);
129 >    corrFunc = new RCorrFunc(info, dumpFileName, sele1, sele2, memSize);
130    } else if (args_info.r_rcorr_given) {
131 <    corrFunc = new RadialRCorrFunc(info, dumpFileName, sele1, sele2);
131 >    corrFunc = new RadialRCorrFunc(info, dumpFileName, sele1, sele2, memSize);
132    } else if (args_info.thetacorr_given) {
133 <    corrFunc = new ThetaCorrFunc(info, dumpFileName, sele1, sele2);
133 >    corrFunc = new ThetaCorrFunc(info, dumpFileName, sele1, sele2, memSize);
134    } else if (args_info.drcorr_given) {
135 <    corrFunc = new DirectionalRCorrFunc(info, dumpFileName, sele1, sele2);
135 >    corrFunc = new DirectionalRCorrFunc(info, dumpFileName, sele1, sele2, memSize);
136    } else if (args_info.vcorr_given) {
137 <    corrFunc = new VCorrFunc(info, dumpFileName, sele1, sele2);
137 >    corrFunc = new VCorrFunc(info, dumpFileName, sele1, sele2, memSize);
138    } else if (args_info.helfandEcorr_given){
139 <    corrFunc = new EnergyCorrFunc(info, dumpFileName, sele1, sele2);
139 >    corrFunc = new EnergyCorrFunc(info, dumpFileName, sele1, sele2, memSize);
140    } else if (args_info.stresscorr_given){
141 <    corrFunc = new StressCorrFunc(info, dumpFileName, sele1, sele2);
141 >    corrFunc = new StressCorrFunc(info, dumpFileName, sele1, sele2, memSize);
142    } else if (args_info.lcorr_given) {
143      int order;
144      if (args_info.order_given)
# Line 141 | Line 151 | int main(int argc, char* argv[]){
151        simError();
152      }
153          
154 <    corrFunc = new LegendreCorrFunc(info, dumpFileName, sele1, sele2, order);
154 >    corrFunc = new LegendreCorrFunc(info, dumpFileName, sele1, sele2, order, memSize);
155    }
156  
157    if (args_info.output_given) {

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