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whitespace cleanup

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This commit is contained in:
Axel Kohlmeyer
2017-05-15 17:00:41 -04:00
parent eb6f6a77e5
commit 0a40a7af7b
1 changed files with 3 additions and 3 deletions
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6
src/MANYBODY/pair_airebo.cpp
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@ -158,7 +158,7 @@ void PairAIREBO::settings(int narg, char **arg)
// this one parameter for C-C interactions is different in AIREBO vs REBO // this one parameter for C-C interactions is different in AIREBO vs REBO
// see Favata, Micheletti, Ryu, Pugno, Comp Phys Comm (2016) // see Favata, Micheletti, Ryu, Pugno, Comp Phys Comm (2016)
PCCf_2_0 = -0.0276030; PCCf_2_0 = -0.0276030;
} }
@ -2134,7 +2134,7 @@ double PairAIREBO::bondorderLJ(int i, int j, double rij[3], double rijmag,
realrij[0] = x[atomi][0] - x[atomj][0]; realrij[0] = x[atomi][0] - x[atomj][0];
realrij[1] = x[atomi][1] - x[atomj][1]; realrij[1] = x[atomi][1] - x[atomj][1];
realrij[2] = x[atomi][2] - x[atomj][2]; realrij[2] = x[atomi][2] - x[atomj][2];
realrijmag = sqrt(realrij[0] * realrij[0] + realrij[1] * realrij[1] realrijmag = sqrt(realrij[0] * realrij[0] + realrij[1] * realrij[1]
+ realrij[2] * realrij[2]); + realrij[2] * realrij[2]);
REBO_neighs = REBO_firstneigh[i]; REBO_neighs = REBO_firstneigh[i];
@ -2479,7 +2479,7 @@ double PairAIREBO::bondorderLJ(int i, int j, double rij[3], double rijmag,
fj[1] -= rijmbr * (fil[1] - (realrij[1] * realrij[0] * fil[0] + realrij[1] * realrij[1] * fil[1] + realrij[1] * realrij[2] * fil[2]) / (realrijmag * realrijmag)); fj[1] -= rijmbr * (fil[1] - (realrij[1] * realrij[0] * fil[0] + realrij[1] * realrij[1] * fil[1] + realrij[1] * realrij[2] * fil[2]) / (realrijmag * realrijmag));
fj[2] -= rijmbr * (fil[2] - (realrij[2] * realrij[0] * fil[0] + realrij[2] * realrij[1] * fil[1] + realrij[2] * realrij[2] * fil[2]) / (realrijmag * realrijmag)); fj[2] -= rijmbr * (fil[2] - (realrij[2] * realrij[0] * fil[0] + realrij[2] * realrij[1] * fil[1] + realrij[2] * realrij[2] * fil[2]) / (realrijmag * realrijmag));
tmp2 = VA*.5*(tmp*wjl*g*exp(lamdaijl)*4.0*kronecker(jtype,1)); tmp2 = VA*.5*(tmp*wjl*g*exp(lamdaijl)*4.0*kronecker(jtype,1));
fj[0] += tmp2*(rjl[0]/rjlmag); fj[0] += tmp2*(rjl[0]/rjlmag);
fj[1] += tmp2*(rjl[1]/rjlmag); fj[1] += tmp2*(rjl[1]/rjlmag);