@@ -1121,7 +1121,6 @@ class JeeIOrbitalSoA : public WaveFunctionComponent
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inline GradType evalGradSource (ParticleSet& P, ParticleSet& source, int isrc) override
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{
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- GradType return_val (0 );
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constexpr valT czero (0 );
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constexpr valT cone (1 );
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constexpr valT cminus (-1 );
@@ -1132,10 +1131,9 @@ class JeeIOrbitalSoA : public WaveFunctionComponent
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const auto & ee_dists = ee_table.getDistances ();
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const auto & ee_displs = ee_table.getDisplacements ();
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- build_compact_list (P);
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TinyVector<RealType, 3 > u3grad;
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Tensor<RealType, 3 > u3hess;
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- int iat = isrc;
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+ const int iat = isrc;
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posT ion_deriv (0 );
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const int ig = Ions.GroupID [iat];
@@ -1166,8 +1164,7 @@ class JeeIOrbitalSoA : public WaveFunctionComponent
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}
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}
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}
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- return_val = ion_deriv;
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- return return_val;
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+ return ion_deriv;;
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}
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inline GradType evalGradSource (ParticleSet& P,
@@ -1176,7 +1173,6 @@ class JeeIOrbitalSoA : public WaveFunctionComponent
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TinyVector<ParticleSet::ParticleGradient, OHMMS_DIM>& grad_grad,
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TinyVector<ParticleSet::ParticleLaplacian, OHMMS_DIM>& lapl_grad) override
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{
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- GradType return_val (0 );
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constexpr valT czero (0 );
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constexpr valT cone (1 );
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constexpr valT cminus (-1 );
@@ -1187,8 +1183,6 @@ class JeeIOrbitalSoA : public WaveFunctionComponent
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const auto & ee_dists = ee_table.getDistances ();
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const auto & ee_displs = ee_table.getDisplacements ();
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- build_compact_list (P);
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-
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ParticleSet::ParticleGradient G;
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ParticleSet::ParticleLaplacian L;
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G.resize (4 );
@@ -1204,7 +1198,7 @@ class JeeIOrbitalSoA : public WaveFunctionComponent
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TinyVector<TinyVector<RealType, 3 >, 3 > identmat (e1 , e2 , e3 );
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- int iat = isrc;
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+ const int iat = isrc;
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posT ion_deriv (0 );
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const int ig = Ions.GroupID [iat];
@@ -1278,8 +1272,7 @@ class JeeIOrbitalSoA : public WaveFunctionComponent
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}
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}
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}
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- return_val = ion_deriv;
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- return return_val;
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+ return ion_deriv;;
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}
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};
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