/beegfs/hackathon/users/eoseret/qaas_runs/170-855-3059/intel/miniqmc/build/miniqmc/src/Numerics/OhmmsPETE/OhmmsMatrix.h: 217 - 217
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217:   inline Type_t* operator[](size_type i) { return X.data() + i * D2; }
/beegfs/hackathon/users/eoseret/qaas_runs/170-855-3059/intel/miniqmc/build/miniqmc/src/Platforms/CPU/SIMD/inner_product.hpp: 82 - 156
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82:   for (int i = 0; i < n; i++)
83:     res += a[i] * b[i];
[...]
155:   for (int i = 0; i < n; i++)
156:     res += a[i] * b[i];
/beegfs/hackathon/users/eoseret/qaas_runs/170-855-3059/intel/miniqmc/build/miniqmc/src/Numerics/OhmmsPETE/TinyVectorOps.h: 129 - 131
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129:     Type_t res = lhs[0] * rhs[0];
130:     for (unsigned d = 1; d < D; ++d)
131:       res += lhs[d] * rhs[d];
/beegfs/hackathon/users/eoseret/qaas_runs/170-855-3059/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/170-855-3059/intel/miniqmc/build/miniqmc/src/QMCWaveFunctions/DeterminantHelper.h: 40 - 48
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40:   if (psi < 0.0)
41:   {
42:     phase = M_PI;
43:     return std::log(-psi);
44:   }
45:   else
46:   {
47:     phase = 0.0;
48:     return std::log(psi);
/beegfs/hackathon/users/eoseret/qaas_runs/170-855-3059/intel/miniqmc/build/miniqmc/src/Numerics/OhmmsPETE/OhmmsVector.h: 56 - 248
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56:   explicit inline Vector(T* ref, size_t n) : nLocal(n), X(ref) {}
[...]
144:   virtual ~Vector() { free(); }
[...]
210:     if (nAllocated)
[...]
221:   inline Type_t& operator[](size_t i)
222:   {
223:     return X[i];
[...]
248:   inline pointer data() { return X; }
/beegfs/hackathon/users/eoseret/qaas_runs/170-855-3059/intel/miniqmc/build/miniqmc/src/QMCWaveFunctions/SPOSet.h: 106 - 111
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106:     for (int iat = first, i = 0; iat < last; ++iat, ++i)
107:     {
108:       ValueVector_t v(logdet[i], OrbitalSetSize);
109:       GradVector_t g(dlogdet[i], OrbitalSetSize);
110:       ValueVector_t l(d2logdet[i], OrbitalSetSize);
111:       evaluate(P, iat, v, g, l);
/beegfs/hackathon/users/eoseret/qaas_runs/170-855-3059/intel/miniqmc/build/miniqmc/src/Numerics/PETE/OperatorTags.h: 63 - 94
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63:     return (a * b);
[...]
94:     (const_cast<T1&>(a) += b);
/cluster/comp/gcc/13.2.0/include/c++/13.2.0/bits/unique_ptr.h: 199 - 199
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199:       pointer    _M_ptr() const noexcept { return std::get<0>(_M_t); }
/beegfs/hackathon/users/eoseret/qaas_runs/170-855-3059/intel/miniqmc/build/miniqmc/src/QMCWaveFunctions/DiracDeterminantRef.cpp: 231 - 273
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231: typename DiracDeterminantRef<DU_TYPE>::RealType DiracDeterminantRef<DU_TYPE>::evaluateLog(
[...]
238:   if (NumPtcls == 1)
239:   {
240:     ValueType y = psiM(0, 0);
241:     GradType rv = y * dpsiM(0, 0);
242:     G[FirstIndex] += rv;
243:     L[FirstIndex] += y * d2psiM(0, 0) - dot(rv, rv);
244:   }
245:   else
246:   {
247:     for (int i = 0, iat = FirstIndex; i < NumPtcls; i++, iat++)
248:     {
249:       mGradType rv   = simd::dot(psiM[i], dpsiM[i], NumOrbitals);
250:       mValueType lap = simd::dot(psiM[i], d2psiM[i], NumOrbitals);
251:       G[iat] += rv;
252:       L[iat] += lap - dot(rv, rv);
253:     }
254:   }
255:   return LogValue;
256: }
257: 
258: template<typename DU_TYPE>
259: void DiracDeterminantRef<DU_TYPE>::recompute(ParticleSet& P)
260: {
261:   SPOVGLTimer->start();
262:   Phi->evaluate_notranspose(P, FirstIndex, LastIndex, psiM_temp, dpsiM, d2psiM);
263:   SPOVGLTimer->stop();
264:   if (NumPtcls == 1)
265:   {
266:     //CurrentDet=psiM(0,0);
267:     ValueType det = psiM_temp(0, 0);
268:     psiM(0, 0)    = RealType(1) / det;
269:     LogValue      = evaluateLogAndPhase(det, PhaseValue);
270:   }
271:   else
272:   {
273:     invertPsiM(psiM_temp, psiM);
/cluster/comp/gcc/13.2.0/include/c++/13.2.0/bits/new_allocator.h: 100 - 168
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100:       ~__new_allocator() _GLIBCXX_USE_NOEXCEPT { }
[...]
168: 	_GLIBCXX_OPERATOR_DELETE(_GLIBCXX_SIZED_DEALLOC(__p, __n));
