From c6b3cabbc67835f255ff1d02d62c4f22027673ab Mon Sep 17 00:00:00 2001 From: Susi Lehtola Date: Sun, 21 Jan 2024 13:02:38 +0200 Subject: [PATCH] Add function to get number of linearly independent auxiliary functions --- src/density_fitting.cpp | 4 ++++ src/density_fitting.h | 2 ++ 2 files changed, 6 insertions(+) diff --git a/src/density_fitting.cpp b/src/density_fitting.cpp index 168a0b3b..343ea4ce 100644 --- 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 index 76588487..f2af04df 100644 --- 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