/cluster/comp/gcc/15.1.0/include/c++/15.1.0/bits/unique_ptr.h: 193 - 193
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193:       pointer    _M_ptr() const noexcept { return std::get<0>(_M_t); }
/beegfs/hackathon/users/eoseret/qaas_runs_test/178-654-6841/intel/miniqmc/build/miniqmc/src/Particle/Lattice/ParticleBConds3DSoa.h: 222 - 255
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222:     const T x0 = pos[0];
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]);
/beegfs/hackathon/users/eoseret/qaas_runs_test/178-654-6841/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(); }
/beegfs/hackathon/users/eoseret/qaas_runs_test/178-654-6841/intel/miniqmc/build/miniqmc/src/Platforms/CPU/SIMD/Mallocator.hpp: 78 - 79
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78:     free(p);
79:   }
/beegfs/hackathon/users/eoseret/qaas_runs_test/178-654-6841/intel/miniqmc/build/miniqmc/src/Numerics/OhmmsPETE/OhmmsVector.h: 149 - 248
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149:     if (nAllocated)
[...]
156:     nLocal     = n;
157:     nAllocated = 0;
158:     X          = ref;
[...]
178:   inline size_t size() const { return nLocal; }
[...]
229:     return X[i];
[...]
248:   inline pointer data() { return X; }
/beegfs/hackathon/users/eoseret/qaas_runs_test/178-654-6841/intel/miniqmc/build/miniqmc/src/Numerics/OhmmsPETE/VectorSoAContainer.h: 154 - 273
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154:     nAllocated = 0;
155:     myData     = nullptr;
156:   }
[...]
167:     if (nAllocated)
[...]
174:     nLocal  = n;
175:     nGhosts = n_padded;
176:     myData  = ptr;
[...]
204:   inline size_t size() const { return nLocal; }
205:   ///return the physical size
206:   inline size_t capacity() const { return nGhosts; }
[...]
265:   inline T* data() { return myData; }
[...]
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; }
/beegfs/hackathon/users/eoseret/qaas_runs_test/178-654-6841/intel/miniqmc/build/miniqmc/src/Particle/SoaDistanceTableAAOMPTarget.h: 264 - 287
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264:   inline void move(const ParticleSet& P, const PosType& rnew, const IndexType iat, bool prepare_old) override
265:   {
266:     ScopedTimer local_timer(move_timer_);
[...]
275:     DTD_BConds<T, D, SC>::computeDistances(rnew, P.getCoordinates().getAllParticlePos(), temp_r_.data(), temp_dr_, 0,
276:                                            num_targets_, iat);
277:     // set up old_r_ and old_dr_ for moves may get accepted.
278:     if (prepare_old)
279:     {
280:       old_r_.attachReference(old_r_mem_.data(), old_r_mem_.size());
281:       old_dr_.attachReference(old_dr_mem_.size(), old_dr_mem_.capacity(), old_dr_mem_.data());
282:       //recompute from scratch
283:       DTD_BConds<T, D, SC>::computeDistances(P.R[iat], P.getCoordinates().getAllParticlePos(), old_r_.data(), old_dr_,
284:                                              0, num_targets_, iat);
285:       old_r_[iat] = std::numeric_limits<T>::max(); //assign a big number
286:     }
287:   }
/beegfs/hackathon/users/eoseret/qaas_runs_test/178-654-6841/intel/miniqmc/build/miniqmc/src/Particle/RealSpacePositionsOMPTarget.h: 163 - 163
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163:   const PosVectorSoa& getAllParticlePos() const override { return RSoA_hostview; }
