synch

jimlutsko · Jun 12, 2024 · 7c75256 · 7c75256
1 parent 91af7f3
commit 7c75256
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Showing 2 changed files with 4 additions and 3 deletions.
diff --git a/include/DFT_Factory.h b/include/DFT_Factory.h
@@ -285,7 +285,8 @@ class DFT_Factory
 
   DFT& get_DFT() { check(); return *dft_;}
   EOS &get_eos() { if(eos_ == NULL) throw std::runtime_error("No EOS found"); return *eos_;}
-
+  double get_D_EOS() { return D_EOS_;}
+
   double get_cell_size() const { return cellsize_;}
 
   void get_thermodynamics(bool verbose_ = true)

diff --git a/src/FMT_Species_EOS.cpp b/src/FMT_Species_EOS.cpp
@@ -162,15 +162,15 @@ void FMT_Species_EOS::add_second_derivative(const DFT_FFT &v, DFT_Vec &d2F, cons
 
   // Get Psi: psi(K) = conv(w_eta,v;K) = sum_J w_eta(K-J)V(J)
   DFT_FFT Psi(Nx,Ny,Nz);
-      
+
   // N.B. the fmt weights have all necessary normalization factors built in, including dV
   bool bConjugate = false;
   convolute_eta_weight_with(v, result, bConjugate);
   Psi.Real().IncrementBy(result.Real());
 
   // Get Lambda: Lambda(K) = (d2dfex(K)/deta(K) deta(K))psi(K)  
   DFT_FFT Lambda(Nx,Ny,Nz);
-
+  
   long pos;
 #ifdef USE_OMP
 #pragma omp parallel for  private(pos) schedule(static)