/beegfs/hackathon/users/eoseret/qaas_runs_test/178-654-5599/intel/miniqmc/build/miniqmc/src/Numerics/OhmmsPETE/VectorSoAContainer.h: 273 - 273
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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/PETE/OperatorTags.h: 94 - 94
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94:     (const_cast<T1&>(a) += b);
/usr/lib/gcc/x86_64-redhat-linux/11/../../../../include/c++/11/bits/stl_numeric.h: 140 - 141
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140:       for (; __first != __last; ++__first)
141: 	__init = _GLIBCXX_MOVE_IF_20(__init) + *__first;
/usr/lib/gcc/x86_64-redhat-linux/11/../../../../include/c++/11/bits/shared_ptr_base.h: 1296 - 1296
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1296:       { return _M_ptr; }
/usr/lib/gcc/x86_64-redhat-linux/11/../../../../include/c++/11/bits/stl_vector.h: 1169 - 1169
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1169:       { return _M_data_ptr(this->_M_impl._M_start); }
/beegfs/hackathon/users/eoseret/qaas_runs_test/178-654-5599/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 - 1115
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923:       for (; __first != __last; ++__first)
924: 	*__first = __tmp;
[...]
1115:       if (__n <= 0)
/usr/lib/gcc/x86_64-redhat-linux/11/../../../../include/c++/11/bits/stl_iterator.h: 1028 - 1182
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1028:       : _M_current(__i) { }
[...]
1182:     { return __lhs.base() != __rhs.base(); }
/beegfs/hackathon/users/eoseret/qaas_runs_test/178-654-5599/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]; }
/beegfs/hackathon/users/eoseret/qaas_runs_test/178-654-5599/intel/miniqmc/build/miniqmc/src/QMCWaveFunctions/Jastrow/TwoBodyJastrowRef.h: 155 - 306
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155:       for (int jat = 0; jat < N; ++jat)
156:         s += du[jat] * dX[jat];
157:       grad[idim] = s;
[...]
262:   const int jelmax = triangle ? iat : N;
[...]
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());
[...]
299: {
300:   UpdateMode = ORB_PBYP_PARTIAL;
301: 
302:   computeU3(P, iat, P.getDistTableAA(myTableID).getTempDists().data(), cur_u.data(), cur_du.data(), cur_d2u.data());
303:   cur_Uat = std::accumulate(cur_u.begin(), cur_u.begin() + N, valT());
304:   DiffVal = Uat[iat] - cur_Uat;
305:   grad_iat += accumulateG(cur_du.data(), P.getDistTableAA(myTableID).getTempDispls());
306:   return std::exp(DiffVal);
