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formatting update

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This commit is contained in:
Axel Kohlmeyer
2020-08-04 07:17:28 -04:00
parent 357716ec4c
commit e860779fa0
1 changed files with 13 additions and 18 deletions
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15
src/DIPOLE/pair_lj_long_dipole_long.cpp
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@ -525,22 +525,19 @@ void PairLJLongDipoleLong::compute(int eflag, int vflag)
force_lj =
(rn*=rn)*lj1i[typej]-g8*(((6.0*a2+6.0)*a2+3.0)*a2+1.0)*x2*rsq;
if (eflag) evdwl = rn*lj3i[typej]-g6*((a2+1.0)*a2+0.5)*x2;
}
else { // special case
} else { // special case
double f = special_lj[ni], t = rn*(1.0-f);
force_lj = f*(rn *= rn)*lj1i[typej]-
g8*(((6.0*a2+6.0)*a2+3.0)*a2+1.0)*x2*rsq+t*lj2i[typej];
if (eflag) evdwl =
f*rn*lj3i[typej]-g6*((a2+1.0)*a2+0.5)*x2+t*lj4i[typej];
}
}
else { // cut lj
} else { // cut lj
double rn = r2inv*r2inv*r2inv;
if (ni < 0) {
force_lj = rn*(rn*lj1i[typej]-lj2i[typej]);
if (eflag) evdwl = rn*(rn*lj3i[typej]-lj4i[typej])-offseti[typej];
}
else { // special case
} else { // special case
double f = special_lj[ni];
force_lj = f*rn*(rn*lj1i[typej]-lj2i[typej]);
if (eflag) evdwl = f*(
@ -548,8 +545,7 @@ void PairLJLongDipoleLong::compute(int eflag, int vflag)
}
}
force_lj *= r2inv;
}
else force_lj = evdwl = 0.0;
} else force_lj = evdwl = 0.0;
fpair = force_coul+force_lj; // force
if (newton_pair || j < nlocal) {
@ -564,8 +560,7 @@ void PairLJLongDipoleLong::compute(int eflag, int vflag)
tqj[0] += muj[1]*tj[2]-muj[2]*tj[1];
tqj[1] += muj[2]*tj[0]-muj[0]*tj[2];
tqj[2] += muj[0]*tj[1]-muj[1]*tj[0];
}
else {
} else {
fi[0] += fx = d[0]*fpair+force_d[0]; // force
fi[1] += fy = d[1]*fpair+force_d[1];
fi[2] += fz = d[2]*fpair+force_d[2];