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replace pow(x,-0.5) with 1.0/sqrt(x)

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Axel Kohlmeyer
2017-05-15 16:16:01 -04:00
parent 64cf52d3b5
commit fb7164a811
1 changed files with 4 additions and 4 deletions
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8
src/MANYBODY/pair_airebo.cpp
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@ -1335,7 +1335,7 @@ double PairAIREBO::bondorder(int i, int j, double rij[3],
dN2[0] = 0.0;
dN2[1] = 0.0;
PijS = PijSpline(NijC,NijH,itype,jtype,dN2);
pij = pow(1.0+Etmp+PijS,-0.5);
pij = 1.0/sqrt(1.0+Etmp+PijS);
tmp = -0.5*cube(pij);
// pij forces
@ -1480,7 +1480,7 @@ double PairAIREBO::bondorder(int i, int j, double rij[3],
dN2[0] = 0.0;
dN2[1] = 0.0;
PjiS = PijSpline(NjiC,NjiH,jtype,itype,dN2);
pji = pow(1.0+Etmp+PjiS,-0.5);
pji = 1.0/sqrt(1.0+Etmp+PjiS);
tmp = -0.5*cube(pji);
REBO_neighs = REBO_firstneigh[j];
@ -2171,7 +2171,7 @@ double PairAIREBO::bondorderLJ(int i, int j, double rij[3], double rijmag,
dN2PIJ[0] = 0.0;
dN2PIJ[1] = 0.0;
PijS = PijSpline(NijC,NijH,itype,jtype,dN2PIJ);
pij = pow(1.0+Etmp+PijS,-0.5);
pij = 1.0/sqrt(1.0+Etmp+PijS);
tmppij = -.5*cube(pij);
tmp3pij = tmp3;
tmp = 0.0;
@ -2211,7 +2211,7 @@ double PairAIREBO::bondorderLJ(int i, int j, double rij[3], double rijmag,
dN2PJI[0] = 0.0;
dN2PJI[1] = 0.0;
PjiS = PijSpline(NjiC,NjiH,jtype,itype,dN2PJI);
pji = pow(1.0+Etmp+PjiS,-0.5);
pji = 1.0/sqrt(1.0+Etmp+PjiS);
tmppji = -.5*cube(pji);
tmp3pji = tmp3;