Difference for src/ComputeNonbondedUtil.C from version 1.1124 to 1.1125

version 1.1124version 1.1125
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 float           ComputeNonbondedUtil::k_vdwb_f; float           ComputeNonbondedUtil::k_vdwb_f;
 float           ComputeNonbondedUtil::cutoff_3_f; float           ComputeNonbondedUtil::cutoff_3_f;
 float           ComputeNonbondedUtil::cutoff_6_f; float           ComputeNonbondedUtil::cutoff_6_f;
  float           ComputeNonbondedUtil::switchOn_f;
  float           ComputeNonbondedUtil::A6_f;
  float           ComputeNonbondedUtil::B6_f;
  float           ComputeNonbondedUtil::C6_f;
  float           ComputeNonbondedUtil::A12_f;
  float           ComputeNonbondedUtil::B12_f;
  float           ComputeNonbondedUtil::C12_f;
 BigReal         ComputeNonbondedUtil::c0; BigReal         ComputeNonbondedUtil::c0;
 BigReal         ComputeNonbondedUtil::c1; BigReal         ComputeNonbondedUtil::c1;
 BigReal         ComputeNonbondedUtil::c3; BigReal         ComputeNonbondedUtil::c3;
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       k_vdwb_f = k_vdwb = cutoff3 / ( cutoff3 - switchOn3 );       k_vdwb_f = k_vdwb = cutoff3 / ( cutoff3 - switchOn3 );
       cutoff_3_f = cutoff_3 = 1. / cutoff3;       cutoff_3_f = cutoff_3 = 1. / cutoff3;
       cutoff_6_f = cutoff_6 = 1. / cutoff6;       cutoff_6_f = cutoff_6 = 1. / cutoff6;
  
      } else if ( simParams->martiniSwitching ) { // switching fxn for Martini RBCG
  
        BigReal p6 = 6;
        BigReal A6 = p6 * ((p6+1)*switchOn-(p6+4)*cutoff)/(pow(cutoff,p6+2)*pow(cutoff-switchOn,2));
        BigReal B6 = -p6 * ((p6+1)*switchOn-(p6+3)*cutoff)/(pow(cutoff,p6+2)*pow(cutoff-switchOn,3));        
        BigReal C6 = 1.0/pow(cutoff,p6)-A6/3.0*pow(cutoff-switchOn,3)-B6/4.0*pow(cutoff-switchOn,4);
  
        BigReal p12 = 12;
        BigReal A12 = p12 * ((p12+1)*switchOn-(p12+4)*cutoff)/(pow(cutoff,p12+2)*pow(cutoff-switchOn,2));
        BigReal B12 = -p12 * ((p12+1)*switchOn-(p12+3)*cutoff)/(pow(cutoff,p12+2)*pow(cutoff-switchOn,3));
        BigReal C12 = 1.0/pow(cutoff,p12)-A12/3.0*pow(cutoff-switchOn,3)-B12/4.0*pow(cutoff-switchOn,4);
  
        A6_f =  A6;  B6_f  = B6;  C6_f =  C6;
        A12_f = A12; B12_f = B12; C12_f = C12;
        switchOn_f = switchOn;
  
     }     }
  
   }   }
   else   else
   {   {


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 Added in v.1.1125



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