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synch
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jimlutsko committed Oct 22, 2024
1 parent ed2a6e9 commit e9e28a1
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Showing 2 changed files with 3 additions and 11 deletions.
11 changes: 0 additions & 11 deletions src/FMT.cpp
Original file line number Diff line number Diff line change
Expand Up @@ -545,17 +545,6 @@ void FMT::add_second_derivative(const vector<DFT_FFT> &v, vector<DFT_Vec> &d2F,
}

}
// Now get EOS contributions
for(int s = 0;s<Nspecies;s++)
{
FMT_Species_EOS *species = dynamic_cast<FMT_Species_EOS*>(allSpecies[s]);
if(species)
species->add_second_derivative(v[s], d2F[s], this);
}




}

// Adds contribution to F_{I,I+J} = sum_{a,b} sum_K dV Phi_{ab}(K) w_a(K-I) w_b(K-I-J)
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3 changes: 3 additions & 0 deletions src/FMT_Species_EOS.cpp
Original file line number Diff line number Diff line change
Expand Up @@ -187,5 +187,8 @@ void FMT_Species_EOS::add_second_derivative(const DFT_FFT &v, DFT_Vec &d2F, cons
//the fmt weights have all necessary normalization factors built in, including dV
bConjugate = true;
convolute_eos_eta_weight_with(Lambda, result, bConjugate);
cout << "d2F.get(12) = " << d2F.get(12) << endl;
cout << "result.Real().get(12) = " << result.Real().get(12) << endl;
d2F.IncrementBy_Scaled_Vector(result.Real(),dV);
cout << "d2F.get(12) = " << d2F.get(12) << endl;
}

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