/beegfs/hackathon/users/eoseret/qaas_runs_test/178-654-6841/intel/miniqmc/build/miniqmc/src/Particle/ParticleSet.h: 313 - 316
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313:   inline int first(int igroup) const { return (*group_offsets_)[igroup]; }
314: 
315:   ///return the last index of a group i
316:   inline int last(int igroup) const { return (*group_offsets_)[igroup + 1]; }
/usr/lib/gcc/x86_64-redhat-linux/11/../../../../include/c++/11/bits/stl_numeric.h: 140 - 141
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/beegfs/hackathon/users/eoseret/qaas_runs_test/178-654-6841/intel/miniqmc/build/miniqmc/src/QMCWaveFunctions/Jastrow/TwoBodyJastrowRef.h: 268 - 402
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268:   const int igt = P.GroupID[iat] * NumGroups;
269:   for (int jg = 0; jg < NumGroups; ++jg)
270:   {
271:     const FuncType& f2(*F[igt + jg]);
272:     int iStart = P.first(jg);
273:     int iEnd   = std::min(jelmax, P.last(jg));
274:     f2.evaluateVGL(iat, iStart, iEnd, dist, u, du, d2u, DistCompressed.data(), DistIndice.data());
[...]
359: {
360:   const auto& d_table = P.getDistTableAA(myTableID);
361:   for (int ig = 0; ig < NumGroups; ++ig)
362:   {
363:     const int igt = ig * NumGroups;
364:     for (int iat = P.first(ig), last = P.last(ig); iat < last; ++iat)
365:     {
366:       computeU3(P, iat, d_table.getDistRow(iat).data(), cur_u.data(), cur_du.data(), cur_d2u.data(), true);
367:       Uat[iat] = std::accumulate(cur_u.begin(), cur_u.begin() + iat, valT());
[...]
375:       for (int jat = 0; jat < iat; ++jat)
376:         lap += d2u[jat] + lapfac * du[jat];
377:       for (int idim = 0; idim < OHMMS_DIM; ++idim)
378:       {
379:         const valT* restrict dX = displ.data(idim);
380:         valT s                  = valT();
381:         for (int jat = 0; jat < iat; ++jat)
382:           s += du[jat] * dX[jat];
383:         grad[idim] = s;
384:       }
385:       dUat(iat)  = grad;
386:       d2Uat[iat] = -lap;
387:       // add the contribution from the upper triangle
388:       for (int jat = 0; jat < iat; jat++)
389:       {
390:         Uat[jat] += u[jat];
391:         d2Uat[jat] -= d2u[jat] + lapfac * du[jat];
[...]
397:         for (int jat = 0; jat < iat; jat++)
398:           save_g[jat] -= du[jat] * dX[jat];
399:       }
400:     }
401:   }
402: }
/usr/lib/gcc/x86_64-redhat-linux/11/../../../../include/c++/11/bits/shared_ptr_base.h: 1296 - 1296
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/usr/lib/gcc/x86_64-redhat-linux/11/../../../../include/c++/11/bits/stl_vector.h: 1064 - 1064
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/usr/lib/gcc/x86_64-redhat-linux/11/../../../../include/c++/11/bits/stl_vector.h: 1169 - 1169
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/beegfs/hackathon/users/eoseret/qaas_runs_test/178-654-6841/intel/miniqmc/build/miniqmc/src/Numerics/OhmmsPETE/OhmmsVector.h: 223 - 249
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223:     return X[i];
[...]
229:     return X[i];
[...]
249:   inline const_pointer data() const { return X; }
/usr/lib/gcc/x86_64-redhat-linux/11/../../../../include/c++/11/bits/stl_algobase.h: 923 - 924
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/usr/lib/gcc/x86_64-redhat-linux/11/../../../../include/c++/11/bits/stl_algobase.h: 1115 - 1115
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/usr/lib/gcc/x86_64-redhat-linux/11/../../../../include/c++/11/bits/stl_iterator.h: 1028 - 1028
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/usr/lib/gcc/x86_64-redhat-linux/11/../../../../include/c++/11/bits/stl_iterator.h: 1054 - 1054
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/usr/lib/gcc/x86_64-redhat-linux/11/../../../../include/c++/11/bits/stl_iterator.h: 1182 - 1182
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/beegfs/hackathon/users/eoseret/qaas_runs_test/178-654-6841/intel/miniqmc/build/miniqmc/src/Numerics/OhmmsPETE/VectorSoAContainer.h: 244 - 273
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244:         *(_base + M * i) = rhs[i];
[...]
263:   inline Accessor operator()(size_t i) { return Accessor(myData + i, nGhosts); }
[...]
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; }
