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Update to SVN r241
1 parent 88e431e commit 3a85f15

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+13
-1
lines changed

2 files changed

+13
-1
lines changed

CMakeLists.txt

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -1,7 +1,7 @@
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cmake_minimum_required(VERSION 2.8.5)
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project(LIBRESPONSE CXX)
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4-
find_package(Armadillo REQUIRED)
4+
find_package(Armadillo)
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set(SRC
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configurable.C

linear/iterator.h

Lines changed: 12 additions & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -249,6 +249,12 @@ class SolverIterator_linear : public SolverIterator_i<arma::vec> {
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info.max_rmsd_beta = 0.0;
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for (size_t iter = 0; iter < maxiter; iter++) {
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252+
if (print_level >= 10) {
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rspvec_alph.print("rspvec_old_alph");
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if (nden == 2)
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rspvec_beta.print("rspvec_old_beta");
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}
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if (do_compute_generalized_density) {
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// Compute J and K from D.
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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 {
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info.max_rmsd_beta = 0.0;
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for (size_t iter = 0; iter < maxiter; iter++) {
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543+
if (print_level >= 10) {
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rspvec_alph.print("rspvec_old_alph");
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if (nden == 2)
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rspvec_beta.print("rspvec_old_beta");
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}
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if (do_compute_generalized_density) {
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// Compute J and K from D.
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compute_generalized_density(Dg.slice(0), rspvec_alph, C_occ_alph, C_virt_alph);

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