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root/group/trunk/OOPSE_old/src/mdtools/libmdCode/LJ_FF.cpp
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Comparing trunk/OOPSE_old/src/mdtools/libmdCode/LJ_FF.cpp (file contents):
Revision 321 by mmeineke, Wed Mar 12 15:12:24 2003 UTC vs.
Revision 348 by mmeineke, Fri Mar 14 21:33:10 2003 UTC

# Line 22 | Line 22 | namespace {
22  
23  
24  
25 < namespace {
25 > namespace LJ_NS{
26  
27    // Declare the structures that will be passed by the parser and  MPI
28    
# Line 45 | Line 45 | namespace {
45   #endif
46   }
47  
48 + using namespace LJ_NS;
49  
50   //****************************************************************
51   // begins the actual forcefield stuff.  
# Line 267 | Line 268 | void LJ_FF::initializeAtoms( void ){
268        if( readLine[0] != '!' ){
269          
270          // the parser returns 0 if the line was blank
271 <        if( parseAtomLJ( readLine, lineNum, info ) ){
271 >        if( parseAtom( readLine, lineNum, info ) ){
272            info.ident = identNum;
273            headAtomType->add( info );;
274            identNum++;
# Line 346 | Line 347 | void LJ_FF::initializeAtoms( void ){
347      
348      if( currentAtomType->name[0] != '\0' ){
349        isError = 0;
350 <      newAtype( &(currentAtomType->ident),
350 >      makeAtype( &(currentAtomType->ident),
351                  &(currentAtomType->mass),
352                  &(currentAtomType->epslon),
353                  &(currentAtomType->sigma),

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