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root/group/trunk/OOPSE/libmdtools/LJ_FF.cpp
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Comparing trunk/OOPSE/libmdtools/LJ_FF.cpp (file contents):
Revision 434 by chuckv, Fri Mar 28 19:30:59 2003 UTC vs.
Revision 463 by gezelter, Sat Apr 5 03:39:25 2003 UTC

# Line 7 | Line 7 | using namespace std;
7  
8   #ifdef IS_MPI
9   #include <mpi.h>
10 – #include <mpi++.h>
10   #endif //is_mpi
11  
12   #include "ForceFields.hpp"
# Line 358 | Line 357 | void LJ_FF::readParams( void ){
357    int isDipole = 0;
358    int isSSD = 0;
359    int isGB = 0;
361 –  double w0 = 0.0;
362 –  double v0 = 0.0;
360    double dipole = 0.0;
364 –  double GB_dummy = 0.0;
361    
366 –  
362    currentAtomType = headAtomType;
363    while( currentAtomType != NULL ){
364      
# Line 377 | Line 372 | void LJ_FF::readParams( void ){
372                   &(currentAtomType->epslon),
373                   &(currentAtomType->sigma),
374                   &dipole,
380 –                 &w0,
381 –                 &v0,
382 –                 &GB_dummy,
383 –                 &GB_dummy,
384 –                 &GB_dummy,
385 –                 &GB_dummy,
386 –                 &GB_dummy,
387 –                 &GB_dummy,
375                   &isError );
376        if( isError ){
377          sprintf( painCave.errMsg,

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