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root/group/trunk/OOPSE/libmdtools/EAM_FF.cpp
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Comparing trunk/OOPSE/libmdtools/EAM_FF.cpp (file contents):
Revision 673 by chuckv, Fri Aug 8 21:22:37 2003 UTC vs.
Revision 787 by mmeineke, Thu Sep 25 19:27:15 2003 UTC

# Line 75 | Line 75 | namespace EAM_NS{
75  
76      void add( atomStruct &info, double *the_eam_rvals,
77                double *the_eam_rhovals,double *the_eam_Frhovals ){
78 –
79 –      int i;
78  
79        // check for duplicates
80        
# Line 164 | Line 162 | EAM_FF::EAM_FF(){
162    char* ffPath_env = "FORCE_PARAM_PATH";
163    char* ffPath;
164    char temp[200];
167 –  char errMsg[1000];
165  
166    headAtomType = NULL;
167    currentAtomType = NULL;
# Line 305 | Line 302 | void EAM_FF::readParams( void ){
302    info.last = 1; // initialize last to have the last set.
303                   // if things go well, last will be set to 0
304  
308 –  int i;
305    int identNum;
306    double *eam_rvals;    // Z of r values
307    double *eam_rhovals;  // rho of r values
# Line 535 | Line 531 | void EAM_FF::initializeAtoms( int nAtoms, Atom** the_a
531    
532    // initialize the atoms
533    
538 –
539 –  Atom* thisAtom;
540 –
534    for( i=0; i<nAtoms; i++ ){
535      
536      currentAtomType = headAtomType->find( the_atoms[i]->getType() );

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