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This commit is contained in:
Axel Kohlmeyer
2022-02-13 17:08:18 -05:00
parent 193dea6327
commit 83beffbb9f

View File

@ -670,20 +670,20 @@ __kernel void k_sw_three_end(const __global numtyp4 *restrict x_,
// this loop apparently iterates over neighbors of j that are not intended
const numtyp cutsq_jk=sw_cut_ik*sw_cut_ik;
if (!(rsq2>(numtyp)0 && rsq2<cutsq_jk)) continue;
#ifndef ONETYPE
const numtyp sw_sigma_gamma_ik=cut_sig_gamma[mtypek].y;
const int mtypejik=jtype*ntypes*ntypes+itype+ktype;
const numtyp sw_lambda_epsilon_ijk=sw_pre3[mtypejik].x;
const numtyp sw_costheta_ijk=sw_pre3[mtypejik].y;
#endif
numtyp fjx, fjy, fjz;
threebody_half(delr1x,delr1y,delr1z,delr2x,delr2y,delr2z);
f.x += fjx;
f.y += fjy;
f.z += fjz;
f.z += fjz;
}
} // for nbor
} // if ii