Add function to get number of linearly independent auxiliary functions

susilehtola · Jan 21, 2024 · c6b3cab · c6b3cab
1 parent ec73829
commit c6b3cab
Show file tree

Hide file tree

Showing 2 changed files with 6 additions and 0 deletions.
diff --git a/src/density_fitting.cpp b/src/density_fitting.cpp
@@ -1144,6 +1144,10 @@ size_t DensityFit::get_Naux() const {
   return Naux;
 }
 
+size_t DensityFit::get_Naux_indep() const {
+  return ab_invh.n_cols;
+}
+
 arma::mat DensityFit::get_ab() const {
   return ab;
 }

diff --git a/src/density_fitting.h b/src/density_fitting.h
@@ -159,6 +159,8 @@ class DensityFit {
   size_t get_Norb() const;
   /// Get the number of auxiliary functions
   size_t get_Naux() const;
+  /// Get the number of linearly independent auxiliary functions
+  size_t get_Naux_indep() const;
   /// Get ab_inv
   arma::mat get_ab() const;
   /// Get ab_inv