/usr/include/c++/14/bits/stl_algobase.h: 238 - 1151
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238:       if (__b < __a)
[...]
952: 	*__first = __tmp;
[...]
1146:       if (__n <= 0)
1147: 	return __first;
1148: 
1149:       __glibcxx_requires_can_increment(__first, __n);
1150: 
1151:       std::__fill_a(__first, __first + __n, __value);
/usr/include/c++/14/bits/stl_iterator.h: 1139 - 1139
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1139:       { return __normal_iterator(_M_current + __n); }
/home/eoseret/qaas/qaas_runs/178-212-9071/intel/miniqmc/build/miniqmc/src/Numerics/PETE/OperatorTags.h: 94 - 94
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94:     (const_cast<T1&>(a) += b);
/home/eoseret/qaas/qaas_runs/178-212-9071/intel/miniqmc/build/miniqmc/src/Numerics/OhmmsPETE/TinyVector.h: 62 - 62
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62:       X[d] = T(0);
/usr/include/c++/14/bits/stl_vector.h: 1147 - 1263
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1147:       operator[](size_type __n) const _GLIBCXX_NOEXCEPT
[...]
1263:       { return _M_data_ptr(this->_M_impl._M_start); }
/home/eoseret/qaas/qaas_runs/178-212-9071/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];
[...]
229:     return X[i];
[...]
249:   inline const_pointer data() const { return X; }
/home/eoseret/qaas/qaas_runs/178-212-9071/intel/miniqmc/build/miniqmc/src/QMCWaveFunctions/Jastrow/TwoBodyJastrowRef.h: 150 - 307
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150:     for (int idim = 0; idim < OHMMS_DIM; ++idim)
151:     {
152:       const valT* restrict dX = displ.data(idim);
153:       valT s                  = valT();
154: 
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]);
[...]
298:     TwoBodyJastrowRef<FT>::ratioGrad(ParticleSet& P, int iat, GradType& grad_iat)
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);
307: }
/home/eoseret/qaas/qaas_runs/178-212-9071/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/include/c++/14/bits/stl_numeric.h: 140 - 141
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140:       for (; __first != __last; ++__first)
141: 	__init = _GLIBCXX_MOVE_IF_20(__init) + *__first;
/home/eoseret/qaas/qaas_runs/178-212-9071/intel/miniqmc/build/miniqmc/src/QMCWaveFunctions/Jastrow/BsplineFunctor.h: 276 - 336
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276:   real_type dSquareDeltaRinv = DeltaRInv * DeltaRInv;
277:   constexpr real_type cOne(1);
278: 
279:   //    START_MARK_FIRST();
280: 
281:   ASSUME_ALIGNED(distIndices);
282:   ASSUME_ALIGNED(distArrayCompressed);
283:   int iCount                 = 0;
284:   int iLimit                 = iEnd - iStart;
[...]
291:   for (int jat = 0; jat < iLimit; jat++)
292:   {
293:     real_type r = distArray[jat];
294:     if (r < cutoff_radius && iStart + jat != iat)
295:     {
296:       distIndices[iCount]         = jat;
297:       distArrayCompressed[iCount] = r;
298:       iCount++;
[...]
305:     real_type r    = distArrayCompressed[j];
306:     int iScatter   = distIndices[j];
307:     real_type rinv = cOne / r;
308:     r *= DeltaRInv;
309:     int iGather   = (int)r;
310:     real_type t   = r - real_type(iGather);
311:     real_type tp0 = t * t * t;
312:     real_type tp1 = t * t;
313:     real_type tp2 = t;
314: 
315:     real_type sCoef0 = SplineCoefs[iGather + 0];
316:     real_type sCoef1 = SplineCoefs[iGather + 1];
317:     real_type sCoef2 = SplineCoefs[iGather + 2];
318:     real_type sCoef3 = SplineCoefs[iGather + 3];
319: 
320:     // clang-format off
321:     laplArray[iScatter] = dSquareDeltaRinv *
322:       (sCoef0*( d2A[ 2]*tp2 + d2A[ 3])+
323:        sCoef1*( d2A[ 6]*tp2 + d2A[ 7])+
324:        sCoef2*( d2A[10]*tp2 + d2A[11])+
325:        sCoef3*( d2A[14]*tp2 + d2A[15]));
326: 
327:     gradArray[iScatter] = DeltaRInv * rinv *
328:       (sCoef0*( dA[ 1]*tp1 + dA[ 2]*tp2 + dA[ 3])+
329:        sCoef1*( dA[ 5]*tp1 + dA[ 6]*tp2 + dA[ 7])+
330:        sCoef2*( dA[ 9]*tp1 + dA[10]*tp2 + dA[11])+
331:        sCoef3*( dA[13]*tp1 + dA[14]*tp2 + dA[15]));
332: 
333:     valArray[iScatter] = (sCoef0*(A[ 0]*tp0 + A[ 1]*tp1 + A[ 2]*tp2 + A[ 3])+
334:         sCoef1*(A[ 4]*tp0 + A[ 5]*tp1 + A[ 6]*tp2 + A[ 7])+
335:         sCoef2*(A[ 8]*tp0 + A[ 9]*tp1 + A[10]*tp2 + A[11])+
336:         sCoef3*(A[12]*tp0 + A[13]*tp1 + A[14]*tp2 + A[15]));
