/beegfs/hackathon/users/eoseret/qaas_runs_test/178-654-6841/intel/miniqmc/build/miniqmc/src/Particle/Lattice/CrystalLattice.h: 170 - 173
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170:       if (-std::numeric_limits<T1>::epsilon() < val_dot[i] && val_dot[i] < 0)
171:         val_dot[i] = T1(0.0);
172:       else
173:         val_dot[i] -= std::floor(val_dot[i]);
/beegfs/hackathon/users/eoseret/qaas_runs_test/178-654-6841/intel/miniqmc/build/miniqmc/src/QMCWaveFunctions/einspline_spo_ref.hpp: 203 - 230
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203:     ScopedTimer local_timer(timer);
204: 
205:     auto u = Lattice.toUnit_floor(P.activeR(iat));
206:     for (int i = 0; i < nBlocks; ++i)
207:       MultiBsplineEvalRef::evaluate_vgh(einsplines[i], u[0], u[1], u[2], psi[i].data(), grad[i].data(), hess[i].data(),
208:                                         nSplinesPerBlock);
209:   }
210: 
211:   inline void evaluate(const ParticleSet& P,
[...]
219:     for (int i = 0; i < nBlocks; ++i)
220:     {
221:       // in real simulation, phase needs to be applied. Here just fake computation
222:       const int first = i * nBlocks;
223:       for (int j = first; j < std::min((i + 1) * nSplinesPerBlock, OrbitalSetSize); j++)
224:       {
225:         psi_v[j]   = psi[i][j - first];
226:         dpsi_v[j]  = grad[i][j - first];
227:         d2psi_v[j] = hess[i].data(0)[j - first];
228:       }
229:     }
230:   }
/beegfs/hackathon/users/eoseret/qaas_runs_test/178-654-6841/intel/miniqmc/build/miniqmc/src/Particle/ParticleSet.h: 143 - 143
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143:     return (active_ptcl_ == iat) ? active_pos_ : R[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/Numerics/OhmmsPETE/TinyVectorTensorOps.h: 150 - 152
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150:     return TinyVector<Type_t, 3>(lhs[0] * rhs[0] + lhs[1] * rhs[3] + lhs[2] * rhs[6],
151:                                  lhs[0] * rhs[1] + lhs[1] * rhs[4] + lhs[2] * rhs[7],
152:                                  lhs[0] * rhs[2] + lhs[1] * rhs[5] + lhs[2] * rhs[8]);
/beegfs/hackathon/users/eoseret/qaas_runs_test/178-654-6841/intel/miniqmc/build/miniqmc/src/Numerics/OhmmsPETE/OhmmsVector.h: 223 - 229
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223:     return X[i];
[...]
229:     return X[i];
/beegfs/hackathon/users/eoseret/qaas_runs_test/178-654-6841/intel/miniqmc/build/miniqmc/src/Numerics/OhmmsPETE/VectorSoAContainer.h: 231 - 271
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231:   inline const AoSElement_t operator[](size_t i) const { return AoSElement_t(myData + i, nGhosts); }
[...]
265:   inline T* data() { return myData; }
[...]
271:   inline T* restrict data(size_t i) { return myData + i * nGhosts; }
/beegfs/hackathon/users/eoseret/qaas_runs_test/178-654-6841/intel/miniqmc/build/miniqmc/src/Numerics/OhmmsPETE/TinyVector.h: 145 - 145
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145:       X[i] = base[i * offset];
/cluster/comp/gcc/15.1.0/include/c++/15.1.0/bits/stl_vector.h: 1264 - 1396
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1264: 	return *(this->_M_impl._M_start + __n);
[...]
1396:       { return _M_data_ptr(this->_M_impl._M_start); }
/cluster/comp/gcc/15.1.0/include/c++/15.1.0/bits/stl_algobase.h: 239 - 239
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239:       if (__b < __a)
