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root/group/trunk/OOPSE/libmdtools/ForceFields.cpp
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Comparing trunk/OOPSE/libmdtools/ForceFields.cpp (file contents):
Revision 841 by mmeineke, Wed Oct 29 17:55:28 2003 UTC vs.
Revision 843 by mmeineke, Wed Oct 29 20:41:39 2003 UTC

# Line 69 | Line 69 | void ForceFields::doForces( int calcPot, int calcStres
69      entry_plug->tau[i] = 0.0;
70    }
71  
72 –  std::cerr << "before\n"
73 –            << "  force[0] = " << frc[0] << "\n"
74 –            << "  pos[0]   = " << pos[0] << "\n"
75 –            << "  trq[0]   = " << trq[0] << "\n"
76 –            << "  A[0]     = " << A[0] << "\n"
77 –            << "  tau      = " << entry_plug->tau[0] << ", " << entry_plug->tau[1] << ", " << entry_plug->tau[2] << "\n"
78 –            << "             " << entry_plug->tau[3] << ", " << entry_plug->tau[4] << ", " << entry_plug->tau[5] << "\n"
79 –            << "             " << entry_plug->tau[6] << ", " << entry_plug->tau[7] << ", " << entry_plug->tau[8] << "\n\n";
72  
73    fortranForceLoop( pos,
74                      A,
# Line 90 | Line 82 | void ForceFields::doForces( int calcPot, int calcStres
82                      &isError );
83  
84  
93 –  std::cerr << "after\n"
94 –            << "  force[0] = " << frc[0] << "\n"
95 –            << "  pos[0]   = " << pos[0] << "\n"
96 –            << "  trq[0]   = " << trq[0] << "\n"
97 –            << "  A[0]     = " << A[0] << "\n"
98 –            << "  tau      = " << entry_plug->tau[0] << ", " << entry_plug->tau[1] << ", " << entry_plug->tau[2] << "\n"
99 –            << "             " << entry_plug->tau[3] << ", " << entry_plug->tau[4] << ", " << entry_plug->tau[5] << "\n"
100 –            << "             " << entry_plug->tau[6] << ", " << entry_plug->tau[7] << ", " << entry_plug->tau[8] << "\n\n";
85  
86    if( isError ){
87      sprintf( painCave.errMsg,

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