/home/eoseret/qaas/qaas_runs/178-212-9071/intel/miniqmc/build/miniqmc/src/Particle/Lattice/ParticleBConds3DSoa.h: 234 - 257
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234: #pragma omp simd aligned(temp_r, px, py, pz, dx, dy, dz: QMC_SIMD_ALIGNMENT)
235:     for (int iat = first; iat < last; ++iat)
236:     {
237:       T displ_0 = px[iat] - x0;
238:       T displ_1 = py[iat] - y0;
239:       T displ_2 = pz[iat] - z0;
240: 
241:       T ar_0 = displ_0 * g00 + displ_1 * g10 + displ_2 * g20;
242:       T ar_1 = displ_0 * g01 + displ_1 * g11 + displ_2 * g21;
243:       T ar_2 = displ_0 * g02 + displ_1 * g12 + displ_2 * g22;
244: 
245:       //put them in the box
246:       ar_0 -= round(ar_0);
247:       ar_1 -= round(ar_1);
248:       ar_2 -= round(ar_2);
249: 
250:       //unit2cart
251:       dx[iat] = ar_0 * r00 + ar_1 * r10 + ar_2 * r20;
252:       dy[iat] = ar_0 * r01 + ar_1 * r11 + ar_2 * r21;
253:       dz[iat] = ar_0 * r02 + ar_1 * r12 + ar_2 * r22;
254: 
255:       temp_r[iat] = std::sqrt(dx[iat] * dx[iat] + dy[iat] * dy[iat] + dz[iat] * dz[iat]);
256:     }
257:   }
