/beegfs/hackathon/users/eoseret/qaas_runs_test/178-654-5599/intel/miniqmc/build/miniqmc/src/Particle/DistanceTable.h: 268 - 268
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268:   const DistRow& getDistRow(int iel) const { return distances_[iel]; }
/beegfs/hackathon/users/eoseret/qaas_runs_test/178-654-5599/intel/miniqmc/build/miniqmc/src/Numerics/OhmmsPETE/TinyVector.h: 62 - 62
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62:       X[d] = T(0);
/beegfs/hackathon/users/eoseret/qaas_runs_test/178-654-5599/intel/miniqmc/build/miniqmc/src/Numerics/OhmmsPETE/VectorSoAContainer.h: 243 - 273
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243:       for (size_t i = 0; i < D; ++i)
244:         *(_base + M * i) = rhs[i];
[...]
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/178-654-5599/intel/miniqmc/build/miniqmc/src/Numerics/OhmmsPETE/OhmmsVector.h: 221 - 249
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221:   inline Type_t& operator[](size_t i)
222:   {
223:     return X[i];
[...]
249:   inline const_pointer data() const { return X; }
/cluster/comp/gcc/15.1.0/include/c++/15.1.0/bits/stl_vector.h: 1263 - 1396
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1263: 	__glibcxx_requires_subscript(__n);
1264: 	return *(this->_M_impl._M_start + __n);
[...]
1283: 	return *(this->_M_impl._M_start + __n);
[...]
1396:       { return _M_data_ptr(this->_M_impl._M_start); }
/beegfs/hackathon/users/eoseret/qaas_runs_test/178-654-5599/intel/miniqmc/build/miniqmc/src/QMCWaveFunctions/Jastrow/TwoBodyJastrowRef.h: 310 - 355
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310: void TwoBodyJastrowRef<FT>::acceptMove(ParticleSet& P, int iat)
311: {
312:   // get the old u, du, d2u
313:   const auto& d_table = P.getDistTableAA(myTableID);
314:   computeU3(P, iat, d_table.getDistRow(iat).data(), old_u.data(), old_du.data(), old_d2u.data());
315:   if (UpdateMode == ORB_PBYP_RATIO)
316:   { // ratio-only during the move; need to compute derivatives
317:     computeU3(P, iat, d_table.getTempDists().data(), cur_u.data(), cur_du.data(), cur_d2u.data());
318:   }
319: 
320:   valT cur_d2Uat(0);
321:   const auto& new_dr    = d_table.getTempDispls();
322:   const auto& old_dr    = d_table.getDisplRow(iat);
323:   constexpr valT lapfac = OHMMS_DIM - RealType(1);
324:   for (int jat = 0; jat < N; jat++)
325:   {
326:     const valT du   = cur_u[jat] - old_u[jat];
327:     const valT newl = cur_d2u[jat] + lapfac * cur_du[jat];
328:     const valT dl   = old_d2u[jat] + lapfac * old_du[jat] - newl;
329:     Uat[jat] += du;
330:     d2Uat[jat] += dl;
331:     cur_d2Uat -= newl;
332:   }
333:   posT cur_dUat;
334:   for (int idim = 0; idim < OHMMS_DIM; ++idim)
[...]
341:     valT cur_g                     = cur_dUat[idim];
342:     for (int jat = 0; jat < N; jat++)
343:     {
344:       const valT newg = cur_du_pt[jat] * new_dX[jat];
345:       const valT dg   = newg - old_du_pt[jat] * old_dX[jat];
346:       save_g[jat] -= dg;
347:       cur_g += newg;
348:     }
349:     cur_dUat[idim] = cur_g;
350:   }
351:   LogValue += Uat[iat] - cur_Uat;
352:   Uat[iat]   = cur_Uat;
353:   dUat(iat)  = cur_dUat;
354:   d2Uat[iat] = cur_d2Uat;
355: }
