Fix issue in previous commit

susilehtola · Jan 15, 2024 · 146f703 · 146f703
1 parent 40bb0b4
commit 146f703
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Showing 2 changed files with 3 additions and 3 deletions.
diff --git a/src/density_fitting.cpp b/src/density_fitting.cpp
@@ -783,10 +783,10 @@ arma::mat DensityFit::calcJ(const arma::mat & P) const {
 
   // Get the expansion coefficients
   arma::vec c=compute_expansion(P);
-  return digestJ(c);
+  return calcJ_vector(c);
 }
 
-arma::mat DensityFit::calcJ(const arma::vec & c) const {
+arma::mat DensityFit::calcJ_vector(const arma::vec & c) const {
   if(c.n_elem != Naux) {
     std::ostringstream oss;
     oss << "Error in DensityFit: Naux = " << Naux << ", c.n_elem = " << c.n_elem << "!\n";

diff --git a/src/density_fitting.h b/src/density_fitting.h
@@ -150,7 +150,7 @@ class DensityFit {
   /// Get Coulomb matrix from P
   std::vector<arma::mat> calcJ(const std::vector<arma::mat> & P) const;
   /// Digest J matrix from computed expansion
-  arma::mat digest(const arma::vec & gamma) const;
+  arma::mat calcJ_vector(const arma::vec & gamma) const;
 
   /// Calculate force from P
   arma::vec forceJ(const arma::mat & P);