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don't hide parameter with local variable

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This commit is contained in:
Axel Kohlmeyer
2021-08-13 06:23:46 -04:00
parent 1abce8e821
commit f08c249d40
1 changed files with 21 additions and 21 deletions
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42
src/ASPHERE/pair_resquared.cpp
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@ -505,10 +505,10 @@ void PairRESquared::precompute_i(const int i,RE2Vars &ws)
MathExtra::rotation_generator_x(ws.A,ws.lA[0]);
MathExtra::rotation_generator_y(ws.A,ws.lA[1]);
MathExtra::rotation_generator_z(ws.A,ws.lA[2]);
for (int i=0; i<3; i++) {
MathExtra::times3(aTs,ws.lA[i],ws.lAtwo[i]);
MathExtra::transpose_times3(ws.lA[i],ws.sa,ws.lAsa[i]);
MathExtra::plus3(ws.lAsa[i],ws.lAtwo[i],ws.lAsa[i]);
for (int m=0; m<3; m++) {
MathExtra::times3(aTs,ws.lA[m],ws.lAtwo[m]);
MathExtra::transpose_times3(ws.lA[m],ws.sa,ws.lAsa[m]);
MathExtra::plus3(ws.lAsa[m],ws.lAtwo[m],ws.lAsa[m]);
}
}
@ -724,10 +724,10 @@ double PairRESquared::resquared_analytic(const int i, const int j,
dspr = 7.0/h12-1.0/hsec+stemp;
pbsr = b_alpha*sigma[type[i]][type[j]]/hsec;
for (int i=0; i<3; i++) {
u[0] = -rhat[i]*rhat[0];
u[1] = -rhat[i]*rhat[1];
u[2] = -rhat[i]*rhat[2];
for (int m=0; m<3; m++) {
u[0] = -rhat[m]*rhat[0];
u[1] = -rhat[m]*rhat[1];
u[2] = -rhat[m]*rhat[2];
u[i] += 1.0;
u[0] /= rnorm;
u[1] /= rnorm;
@ -753,7 +753,7 @@ double PairRESquared::resquared_analytic(const int i, const int j,
dh12 = rhat[i]+MathExtra::dot3(u,spr);
dUa = pbsu*(eta*dchi+deta*chi)-dh12*dspu;
dUr = pbsr*(eta*dchi+deta*chi)-dh12*dspr;
fforce[i]=dUr*Ur+dUa*Ua;
fforce[m]=dUr*Ur+dUa*Ua;
}
// torque on i
@ -950,19 +950,19 @@ double PairRESquared::resquared_lj(const int i, const int j,
dspr = 7.0/h12-1.0/hsec+stemp;
pbsr = b_alpha*sigma[type[i]][type[j]]/hsec;
for (int i=0; i<3; i++) {
u[0] = -rhat[i]*rhat[0];
u[1] = -rhat[i]*rhat[1];
u[2] = -rhat[i]*rhat[2];
u[i] += 1.0;
for (int m=0; m<3; m++) {
u[0] = -rhat[m]*rhat[0];
u[1] = -rhat[m]*rhat[1];
u[2] = -rhat[m]*rhat[2];
u[m] += 1.0;
u[0] /= rnorm;
u[1] /= rnorm;
u[2] /= rnorm;
dchi = MathExtra::dot3(u,fourw);
dh12 = rhat[i]+MathExtra::dot3(u,spr);
dh12 = rhat[m]+MathExtra::dot3(u,spr);
dUa = pbsu*dchi-dh12*dspu;
dUr = pbsr*dchi-dh12*dspr;
fforce[i]=dUr*Ur+dUa*Ua;
fforce[m]=dUr*Ur+dUa*Ua;
}
// torque on i
@ -970,17 +970,17 @@ double PairRESquared::resquared_lj(const int i, const int j,
if (calc_torque) {
MathExtra::vecmat(fourw,wi.aTe,fwae);
for (int i=0; i<3; i++) {
MathExtra::matvec(wi.lA[i],rhat,p);
for (int m=0; m<3; m++) {
MathExtra::matvec(wi.lA[m],rhat,p);
double tempv[3];
MathExtra::matvec(wi.lA[i],w,tempv);
MathExtra::matvec(wi.lA[m],w,tempv);
dchi = -MathExtra::dot3(fwae,tempv);
MathExtra::matvec(lAtwo[i],spr,tempv);
MathExtra::matvec(lAtwo[m],spr,tempv);
dh12 = -MathExtra::dot3(s,tempv);
dUa = pbsu*dchi-dh12*dspu;
dUr = pbsr*dchi-dh12*dspr;
ttor[i] = -(dUa*Ua+dUr*Ur);
ttor[m] = -(dUa*Ua+dUr*Ur);
}
}