Update to SVN r241

LambrechtLab · Dec 13, 2017 · 3a85f15 · 3a85f15
1 parent 88e431e
commit 3a85f15
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Showing 2 changed files with 13 additions and 1 deletion.
diff --git a/CMakeLists.txt b/CMakeLists.txt
@@ -1,7 +1,7 @@
 cmake_minimum_required(VERSION 2.8.5)
 project(LIBRESPONSE CXX)
 
-find_package(Armadillo REQUIRED)
+find_package(Armadillo)
 
 set(SRC
     configurable.C

diff --git a/linear/iterator.h b/linear/iterator.h
@@ -249,6 +249,12 @@ class SolverIterator_linear : public SolverIterator_i<arma::vec> {
                     info.max_rmsd_beta = 0.0;
                     for (size_t iter = 0; iter < maxiter; iter++) {
 
+                        if (print_level >= 10) {
+                            rspvec_alph.print("rspvec_old_alph");
+                            if (nden == 2)
+                                rspvec_beta.print("rspvec_old_beta");
+                        }
+
                         if (do_compute_generalized_density) {
                             // Compute J and K from D.
                             compute_generalized_density(Dg.slice(0), rspvec_alph, C_occ_alph, C_virt_alph);
@@ -534,6 +540,12 @@ class SolverIterator_ALMO_linear : public SolverIterator_nonorthogonal {
                     info.max_rmsd_beta = 0.0;
                     for (size_t iter = 0; iter < maxiter; iter++) {
 
+                        if (print_level >= 10) {
+                            rspvec_alph.print("rspvec_old_alph");
+                            if (nden == 2)
+                                rspvec_beta.print("rspvec_old_beta");
+                        }
+
                         if (do_compute_generalized_density) {
                             // Compute J and K from D.
                             compute_generalized_density(Dg.slice(0), rspvec_alph, C_occ_alph, C_virt_alph);