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root/group/branches/new_design/OOPSE-3.0/src/UseTheForce/LJFF.cpp
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Comparing:
trunk/OOPSE-3.0/src/UseTheForce/LJFF.cpp (file contents), Revision 1654 by gezelter, Wed Oct 27 02:16:34 2004 UTC vs.
branches/new_design/OOPSE-3.0/src/UseTheForce/LJFF.cpp (file contents), Revision 1702 by tim, Wed Nov 3 18:00:36 2004 UTC

# Line 52 | Line 52 | namespace LJ_NS{
52      }
53      ~LinkedAtomType(){ if( next != NULL ) delete next; }
54  
55 <    LinkedAtomType* find(char* key){
55 >    LinkedAtomType* find(const char* key){
56        if( !strcmp(name, key) ) return this;
57        if( next != NULL ) return next->find(key);
58        return NULL;
# Line 118 | Line 118 | LJFF::LJFF(){
118   //****************************************************************
119  
120  
121 < LJFF::LJFF(){
121 > LJFF::LJFF() : ForceFields() {
122  
123    string fileName;
124    string tempString;
# Line 157 | Line 157 | LJFF::LJFF(){
157    
158    if( worldRank == 0 ){
159   #endif
160 –    
161 –    // generate the force file name
160      
161 +    // generate the force file name  
162 +
163      fileName = "LJFF.frc";
164      // fprintf( stderr,"Trying to open %s\n", fileName );
165      
# Line 396 | Line 396 | void LJFF::initializeAtoms( int nAtoms, Atom** the_ato
396  
397    for( i=0; i<nAtoms; i++ ){
398      
399 <    currentAtomType = headAtomType->find( the_atoms[i]->getType() );
399 >    currentAtomType = headAtomType->find(the_atoms[i]->getType().c_str() );
400      if( currentAtomType == NULL ){
401        sprintf( painCave.errMsg,
402                 "AtomType error, %s not found in force file.\n",
403 <               the_atoms[i]->getType() );
403 >               the_atoms[i]->getType().c_str() );
404        painCave.isFatal = 1;
405        simError();
406      }

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