/beegfs/hackathon/users/eoseret/qaas_runs_test/178-654-5599/intel/miniqmc/build/miniqmc/src/Numerics/Spline2/MultiBsplineRef.hpp: 42 - 71
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42:   x -= spline_m->x_grid.start;
43:   y -= spline_m->y_grid.start;
44:   z -= spline_m->z_grid.start;
45:   T tx, ty, tz;
46:   int ix, iy, iz;
47:   spline2::getSplineBound(x * spline_m->x_grid.delta_inv, tx, ix, spline_m->x_grid.num - 1);
48:   spline2::getSplineBound(y * spline_m->y_grid.delta_inv, ty, iy, spline_m->y_grid.num - 1);
49:   spline2::getSplineBound(z * spline_m->z_grid.delta_inv, tz, iz, spline_m->z_grid.num - 1);
[...]
56:   const intptr_t xs = spline_m->x_stride;
57:   const intptr_t ys = spline_m->y_stride;
58:   const intptr_t zs = spline_m->z_stride;
59: 
60:   constexpr T zero(0);
61:   std::fill(vals, vals + num_splines, zero);
62: 
63:   for (size_t i = 0; i < 4; i++)
64:     for (size_t j = 0; j < 4; j++)
65:     {
66:       const T pre00           = a[i] * b[j];
67:       const T* restrict coefs = spline_m->coefs + (ix + i) * xs + (iy + j) * ys + iz * zs;
68:       for (size_t n = 0; n < num_splines; n++)
69:         vals[n] += pre00 *
70:             (c[0] * coefs[n] + c[1] * coefs[n + zs] + c[2] * coefs[n + 2 * zs] +
71:              c[3] * coefs[n + 3 * zs]);
/beegfs/hackathon/users/eoseret/qaas_runs_test/178-654-5599/intel/miniqmc/build/miniqmc/src/Numerics/OhmmsPETE/TinyVector.h: 61 - 61
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61:     for (size_t d = 0; d < D; ++d)
/beegfs/hackathon/users/eoseret/qaas_runs_test/178-654-5599/intel/miniqmc/build/miniqmc/src/Particle/Lattice/CrystalLattice.h: 170 - 170
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170:       if (-std::numeric_limits<T1>::epsilon() < val_dot[i] && val_dot[i] < 0)
/beegfs/hackathon/users/eoseret/qaas_runs_test/178-654-5599/intel/miniqmc/build/miniqmc/src/Numerics/OhmmsPETE/TinyVectorTensorOps.h: 150 - 152
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150:     return TinyVector<Type_t, 3>(lhs[0] * rhs[0] + lhs[1] * rhs[3] + lhs[2] * rhs[6],
151:                                  lhs[0] * rhs[1] + lhs[1] * rhs[4] + lhs[2] * rhs[7],
152:                                  lhs[0] * rhs[2] + lhs[1] * rhs[5] + lhs[2] * rhs[8]);
/beegfs/hackathon/users/eoseret/qaas_runs_test/178-654-5599/intel/miniqmc/build/miniqmc/src/Utilities/NewTimer.h: 242 - 249
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242:   ScopeGuard(TIMER& t) : timer(t) { timer.start(); }
[...]
249:   ~ScopeGuard() { timer.stop(); }
/beegfs/hackathon/users/eoseret/qaas_runs_test/178-654-5599/intel/miniqmc/build/miniqmc/src/QMCWaveFunctions/einspline_spo_ref.hpp: 172 - 189
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172:     ScopedTimer local_timer(timer);
173: 
174:     auto u = Lattice.toUnit_floor(P.activeR(iat));
175:     for (int i = 0; i < nBlocks; ++i)
176:       MultiBsplineEvalRef::evaluate_v(einsplines[i], u[0], u[1], u[2], psi[i].data(), nSplinesPerBlock);
177:   }
178: 
179:   inline void evaluate(const ParticleSet& P, int iat, ValueVector_t& psi_v)
180:   {
181:     evaluate_v(P, iat);
182: 
183:     for (int i = 0; i < nBlocks; ++i)
184:     {
185:       // in real simulation, phase needs to be applied. Here just fake computation
186:       const int first = i * nBlocks;
187:       std::copy_n(psi[i].data(), std::min((i + 1) * nSplinesPerBlock, OrbitalSetSize) - first, psi_v.data() + first);
188:     }
189:   }
/usr/lib/gcc/x86_64-redhat-linux/11/../../../../include/c++/11/bits/stl_vector.h: 1046 - 1046
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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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/usr/lib/gcc/x86_64-redhat-linux/11/../../../../include/c++/11/bits/stl_algobase.h: 235 - 235
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/usr/lib/gcc/x86_64-redhat-linux/11/../../../../include/c++/11/bits/stl_algobase.h: 429 - 431
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/usr/lib/gcc/x86_64-redhat-linux/11/../../../../include/c++/11/bits/stl_algobase.h: 924 - 924
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/beegfs/hackathon/users/eoseret/qaas_runs_test/178-654-5599/intel/miniqmc/build/miniqmc/src/Numerics/Spline2/MultiBsplineEvalHelper.hpp: 45 - 47
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45:   T sf = std::floor(x);
46:   T dx2 = x - sf;
47:   int ind2 = std::min(std::max(0, static_cast<int>(sf)), nmax);
/beegfs/hackathon/users/eoseret/qaas_runs_test/178-654-5599/intel/miniqmc/build/miniqmc/src/Particle/ParticleSet.h: 143 - 143
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143:     return (active_ptcl_ == iat) ? active_pos_ : R[iat];
/usr/lib/gcc/x86_64-redhat-linux/11/../../../../include/c++/11/bits/stl_algo.h: 725 - 725
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/usr/lib/gcc/x86_64-redhat-linux/11/../../../../include/c++/11/bits/stl_algo.h: 751 - 751
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/beegfs/hackathon/users/eoseret/qaas_runs_test/178-654-5599/intel/miniqmc/build/miniqmc/src/Numerics/Spline2/MultiBsplineData.hpp: 54 - 57
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54:     a[0] = ((A00 * tx + A01) * tx + A02) * tx + A03;
55:     a[1] = ((A10 * tx + A11) * tx + A12) * tx + A13;
56:     a[2] = ((A20 * tx + A21) * tx + A22) * tx + A23;
57:     a[3] = ((A30 * tx + A31) * tx + A32) * tx + A33;
/beegfs/hackathon/users/eoseret/qaas_runs_test/178-654-5599/intel/miniqmc/build/miniqmc/src/Numerics/OhmmsPETE/Tensor.h: 213 - 213
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213:   inline Type_t operator[](unsigned int i) const { return X[i]; }
