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remove dead code

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This commit is contained in:
Axel Kohlmeyer
2024-02-20 05:11:40 -05:00
parent 00c263cd7b
commit d38b3ffd82
2 changed files with 3 additions and 18 deletions
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9
src/GPU/pair_lj_cut_dipole_cut_gpu.cpp
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@ -179,7 +179,7 @@ void PairLJCutDipoleCutGPU::cpu_compute(int start, int inum, int eflag, int vfla
double qtmp, xtmp, ytmp, ztmp, delx, dely, delz, evdwl, ecoul, fx, fy, fz;
double rsq, rinv, r2inv, r6inv, r3inv, r5inv, r7inv;
double forcecoulx, forcecouly, forcecoulz, crossx, crossy, crossz;
double tixcoul, tiycoul, tizcoul, tjxcoul, tjycoul, tjzcoul;
double tixcoul, tiycoul, tizcoul;
double fq, pdotp, pidotr, pjdotr, pre1, pre2, pre3, pre4;
double forcelj, factor_coul, factor_lj;
int *jlist;
@ -230,7 +230,6 @@ void PairLJCutDipoleCutGPU::cpu_compute(int start, int inum, int eflag, int vfla
forcecoulx = forcecouly = forcecoulz = 0.0;
tixcoul = tiycoul = tizcoul = 0.0;
tjxcoul = tjycoul = tjzcoul = 0.0;
if (rsq < cut_coulsq[itype][jtype]) {
@ -268,9 +267,6 @@ void PairLJCutDipoleCutGPU::cpu_compute(int start, int inum, int eflag, int vfla
tixcoul += crossx + pre2 * (mu[i][1] * delz - mu[i][2] * dely);
tiycoul += crossy + pre2 * (mu[i][2] * delx - mu[i][0] * delz);
tizcoul += crossz + pre2 * (mu[i][0] * dely - mu[i][1] * delx);
tjxcoul += -crossx + pre3 * (mu[j][1] * delz - mu[j][2] * dely);
tjycoul += -crossy + pre3 * (mu[j][2] * delx - mu[j][0] * delz);
tjzcoul += -crossz + pre3 * (mu[j][0] * dely - mu[j][1] * delx);
}
if (mu[i][3] > 0.0 && q[j] != 0.0) {
@ -298,9 +294,6 @@ void PairLJCutDipoleCutGPU::cpu_compute(int start, int inum, int eflag, int vfla
forcecoulx += pre1 * delx - pre2 * mu[j][0];
forcecouly += pre1 * dely - pre2 * mu[j][1];
forcecoulz += pre1 * delz - pre2 * mu[j][2];
tjxcoul += -pre2 * (mu[j][1] * delz - mu[j][2] * dely);
tjycoul += -pre2 * (mu[j][2] * delx - mu[j][0] * delz);
tjzcoul += -pre2 * (mu[j][0] * dely - mu[j][1] * delx);
}
}

12
src/GPU/pair_lj_sf_dipole_sf_gpu.cpp
View File

@ -178,8 +178,8 @@ void PairLJSFDipoleSFGPU::cpu_compute(int start, int inum, int eflag, int vflag,
double qtmp, xtmp, ytmp, ztmp, delx, dely, delz, evdwl, ecoul, fx, fy, fz;
double rsq, rinv, r2inv, r6inv, r3inv, r5inv;
double forcecoulx, forcecouly, forcecoulz, crossx, crossy, crossz;
double tixcoul, tiycoul, tizcoul, tjxcoul, tjycoul, tjzcoul;
double fq, pdotp, pidotr, pjdotr, pre1, pre2, pre3, pre4;
double tixcoul, tiycoul, tizcoul;
double fq, pdotp, pidotr, pjdotr, pre1, pre2, pre4;
double forcelj, factor_coul, factor_lj;
double presf, afac, bfac, pqfac, qpfac, forceljcut, forceljsf;
double aforcecoulx, aforcecouly, aforcecoulz;
@ -233,7 +233,6 @@ void PairLJSFDipoleSFGPU::cpu_compute(int start, int inum, int eflag, int vflag,
forcecoulx = forcecouly = forcecoulz = 0.0;
tixcoul = tiycoul = tizcoul = 0.0;
tjxcoul = tjycoul = tjzcoul = 0.0;
if (rsq < cut_coulsq[itype][jtype]) {
@ -272,7 +271,6 @@ void PairLJSFDipoleSFGPU::cpu_compute(int start, int inum, int eflag, int vflag,
forcecoulz += 3.0 * r5inv * (aforcecoulz + bforcecoulz);
pre2 = 3.0 * bfac * r5inv * pjdotr;
pre3 = 3.0 * bfac * r5inv * pidotr;
pre4 = -bfac * r3inv;
crossx = pre4 * (mu[i][1] * mu[j][2] - mu[i][2] * mu[j][1]);
@ -282,9 +280,6 @@ void PairLJSFDipoleSFGPU::cpu_compute(int start, int inum, int eflag, int vflag,
tixcoul += crossx + pre2 * (mu[i][1] * delz - mu[i][2] * dely);
tiycoul += crossy + pre2 * (mu[i][2] * delx - mu[i][0] * delz);
tizcoul += crossz + pre2 * (mu[i][0] * dely - mu[i][1] * delx);
tjxcoul += -crossx + pre3 * (mu[j][1] * delz - mu[j][2] * dely);
tjycoul += -crossy + pre3 * (mu[j][2] * delx - mu[j][0] * delz);
tjzcoul += -crossz + pre3 * (mu[j][0] * dely - mu[j][1] * delx);
}
if (mu[i][3] > 0.0 && q[j] != 0.0) {
@ -318,9 +313,6 @@ void PairLJSFDipoleSFGPU::cpu_compute(int start, int inum, int eflag, int vflag,
forcecoulx += pre1 * delx - pre2 * mu[j][0];
forcecouly += pre1 * dely - pre2 * mu[j][1];
forcecoulz += pre1 * delz - pre2 * mu[j][2];
tjxcoul += -pre2 * (mu[j][1] * delz - mu[j][2] * dely);
tjycoul += -pre2 * (mu[j][2] * delx - mu[j][0] * delz);
tjzcoul += -pre2 * (mu[j][0] * dely - mu[j][1] * delx);
}
}