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Comparing branches/new-templateless/OOPSE/libmdtools/NPTi.cpp (file contents):
Revision 850 by mmeineke, Mon Nov 3 22:07:17 2003 UTC vs.
Revision 851 by mmeineke, Wed Nov 5 19:18:17 2003 UTC

# Line 1 | Line 1
1 + #include <iostream>
2   #include <math.h>
3 +
4 +
5   #include "Atom.hpp"
6   #include "SRI.hpp"
7   #include "AbstractClasses.hpp"
# Line 28 | Line 31 | NPTi::NPTi ( SimInfo *theInfo, ForceFields* the_ff):
31   {
32    GenericData* data;
33    double *etaArray;
34 +  int test;
35  
36    eta = 0.0;
37    oldEta = 0.0;
# Line 36 | Line 40 | NPTi::NPTi ( SimInfo *theInfo, ForceFields* the_ff):
40    data = info->getProperty(ETAVALUE_ID);
41    if(data != NULL){
42      
43 <    int test = data->getDarray(etaArray);
43 >    test = data->getDarray(etaArray);
44      
45      if( test == 9 ){
46        
47        eta = etaArray[0];
44      }    
48        delete[] etaArray;
49      }
50      else
# Line 157 | Line 160 | string NPTi::getAdditionalParameters(void){
160    return conservedQuantity;
161   }
162  
163 < string NPTi::getAdditionalParameters(void){
161 <  string parameters;
162 <  const int BUFFERSIZE = 2000; // size of the read buffer
163 <  char buffer[BUFFERSIZE];
163 > char* NPTi::getAdditionalParameters(void){
164  
165 <  sprintf(buffer,"\t%lf\t%lf;", chi, integralOfChidt);
166 <  parameters += buffer;
165 >  sprintf(addParamBuffer,
166 >          "\t%G\t%G;"
167 >          "\t%G\t%0.0\t%0.0;"
168 >          "\t%0.0\t%G\t%0.0;"
169 >          "\t%0.0\t%0.0\t%G;",
170 >          chi, integralOfChidt,
171 >          eta, eta, eta
172 >          );
173  
174 <  sprintf(buffer,"\t%lf\t0\t0;", eta);
169 <  parameters += buffer;
170 <
171 <  sprintf(buffer,"\t0\t%lf\t0;", eta);
172 <  parameters += buffer;
173 <
174 <  sprintf(buffer,"\t0\t0\t%lf;", eta);
175 <  parameters += buffer;
176 <
177 <  return parameters;
178 <
174 >  return addParamBuffer;
175   }

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