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root/group/trunk/OOPSE/libmdtools/Restraints.cpp
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Comparing trunk/OOPSE/libmdtools/Restraints.cpp (file contents):
Revision 1187 by chrisfen, Sat May 22 18:16:18 2004 UTC vs.
Revision 1194 by chrisfen, Mon May 24 21:23:36 2004 UTC

# Line 140 | Line 140 | double Restraints::Calc_Restraint_Forces(vector<StuntD
140    double tempPotent;
141    double factor;
142    double spaceTrq[3];
143 <  double omega;
143 >  double omegaPass;
144  
145    tolerance = 5.72957795131e-7;
146  
# Line 154 | Line 154 | double Restraints::Calc_Restraint_Forces(vector<StuntD
154        vecParticles[i]->getA(A);
155        Calc_rVal( pos, i );
156        Calc_body_thetaVal( A, i );
157 <      vecParticles[i]->getZangle(omega);
158 <      Calc_body_omegaVal( A, omega );
157 >      omegaPass = vecParticles[i]->getZangle();
158 >      Calc_body_omegaVal( A, omegaPass );
159  
160        if (omega > PI || omega < -PI)
161          cout << "oops... " << omega << "\n";
# Line 275 | Line 275 | void Restraints::Store_Init_Info(vector<StuntDouble*>
275    if (!angleIn) {
276      sprintf(painCave.errMsg,
277              "Restraints Warning: The lack of a zAngle.ang file is mildly\n"
278 <            "\tunsettling... This means you arestarting from the idealCrystal.in\n"
279 <            "\treference configuration, so the omega values will all be set to\n"
280 <            "\tzero. If this isn't the case, you should question your results.\n");
278 >            "\tunsettling... This means the simulation is starting from the\n"
279 >            "\tidealCrystal.in reference configuration, so the omega values\n"
280 >            "\twill all be set to zero. If this is not the case, you should\n"
281 >            "\tquestion your results.\n");
282      painCave.isFatal = 0;
283      simError();  
284    }

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