/home/eoseret/qaas/qaas_runs/178-547-6790/intel/miniqmc/build/miniqmc/src/Utilities/NewTimer.h: 242 - 249
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242:   ScopeGuard(TIMER& t) : timer(t) { timer.start(); }
[...]
249:   ~ScopeGuard() { timer.stop(); }
/home/eoseret/qaas/qaas_runs/178-547-6790/intel/miniqmc/build/miniqmc/src/Particle/SoaDistanceTableAAOMPTarget.h: 179 - 187
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179:   inline void evaluate(ParticleSet& P) override
180:   {
181:     ScopedTimer local_timer(evaluate_timer_);
182: 
183:     constexpr T BigR = std::numeric_limits<T>::max();
184:     for (int iat = 1; iat < num_targets_; ++iat)
185:       DTD_BConds<T, D, SC>::computeDistances(P.R[iat], P.getCoordinates().getAllParticlePos(), distances_[iat].data(),
186:                                              displacements_[iat], 0, iat, iat);
187:   }
/home/eoseret/qaas/qaas_runs/178-547-6790/intel/miniqmc/build/miniqmc/src/Particle/RealSpacePositionsOMPTarget.h: 163 - 163
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163:   const PosVectorSoa& getAllParticlePos() const override { return RSoA_hostview; }
/home/eoseret/qaas/qaas_runs/178-547-6790/intel/miniqmc/build/miniqmc/src/Numerics/OhmmsPETE/VectorSoAContainer.h: 271 - 273
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271:   inline T* restrict data(size_t i) { return myData + i * nGhosts; }
272:   ///return the const pointer of the i-th components
273:   inline const T* restrict data(size_t i) const { return myData + i * nGhosts; }
/usr/include/c++/14/bits/stl_vector.h: 1128 - 1131
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1128:       operator[](size_type __n) _GLIBCXX_NOEXCEPT
1129:       {
1130: 	__glibcxx_requires_subscript(__n);
1131: 	return *(this->_M_impl._M_start + __n);
/usr/include/c++/14/bits/unique_ptr.h: 193 - 193
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193:       pointer    _M_ptr() const noexcept { return std::get<0>(_M_t); }
/home/eoseret/qaas/qaas_runs/178-547-6790/intel/miniqmc/build/miniqmc/src/Particle/Lattice/ParticleBConds3DSoa.h: 223 - 255
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223:     const T y0 = pos[1];
224:     const T z0 = pos[2];
[...]
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]);
/home/eoseret/qaas/qaas_runs/178-547-6790/intel/miniqmc/build/miniqmc/src/Numerics/OhmmsPETE/OhmmsVector.h: 223 - 248
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223:     return X[i];
[...]
248:   inline pointer data() { return X; }
