Merge pull request #125 from shivupa/Davidsonspacesize

Davidson Space Size
yixuan · Aug 14, 2021 · 904bbbe · 904bbbe
2 parents 148d019 + 5c8d57a
commit 904bbbe
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Showing 2 changed files with 26 additions and 16 deletions.
diff --git a/include/Spectra/DavidsonSymEigsSolver.h b/include/Spectra/DavidsonSymEigsSolver.h
@@ -39,8 +39,8 @@ class DavidsonSymEigsSolver : public JDSymEigsBase<DavidsonSymEigsSolver<OpType>
     Vector m_diagonal;
 
 public:
-    DavidsonSymEigsSolver(OpType& op, Index nev) :
-        JDSymEigsBase<DavidsonSymEigsSolver<OpType>, OpType>(op, nev)
+    DavidsonSymEigsSolver(OpType& op, Index nev, Index nvec_init, Index nvec_max) :
+        JDSymEigsBase<DavidsonSymEigsSolver<OpType>, OpType>(op, nev, nvec_init, nvec_max)
     {
         m_diagonal.resize(this->m_matrix_operator.rows());
         for (Index i = 0; i < op.rows(); i++)
@@ -49,6 +49,9 @@ class DavidsonSymEigsSolver : public JDSymEigsBase<DavidsonSymEigsSolver<OpType>
         }
     }
 
+    DavidsonSymEigsSolver(OpType& op, Index nev) :
+        DavidsonSymEigsSolver(op, nev, 2 * nev, 10 * nev) {}
+
     /// Create initial search space based on the diagonal
     /// and the spectrum'target (highest or lowest)
     ///

diff --git a/include/Spectra/JDSymEigsBase.h b/include/Spectra/JDSymEigsBase.h
@@ -58,28 +58,35 @@ class JDSymEigsBase
             throw std::invalid_argument("nev must satisfy 1 <= nev <= n - 1, n is the size of matrix");
     }
 
-public:
-    JDSymEigsBase(OpType& op, Index nev) :
-        m_matrix_operator(op),
-        m_number_eigenvalues(nev),
-        m_max_search_space_size(10 * m_number_eigenvalues),
-        m_initial_search_space_size(2 * m_number_eigenvalues),
-        m_correction_size(m_number_eigenvalues)
+    void initialize()
     {
-        check_argument();
         //TODO better input validation and checks
-        if (op.cols() < m_max_search_space_size)
+        if (m_matrix_operator.cols() < m_max_search_space_size)
         {
-            m_max_search_space_size = op.cols();
+            m_max_search_space_size = m_matrix_operator.cols();
         }
-
-        if (op.cols() < m_initial_search_space_size + m_correction_size)
+        if (m_matrix_operator.cols() < m_initial_search_space_size + m_correction_size)
         {
-            m_initial_search_space_size = op.cols() / 3;
-            m_correction_size = op.cols() / 3;
+            m_initial_search_space_size = m_matrix_operator.cols() / 3;
+            m_correction_size = m_matrix_operator.cols() / 3;
         }
     }
 
+public:
+    JDSymEigsBase(OpType& op, Index nev, Index nvec_init, Index nvec_max) :
+        m_matrix_operator(op),
+        m_number_eigenvalues(nev),
+        m_max_search_space_size(nvec_max < op.rows() ? nvec_max : 10 * m_number_eigenvalues),
+        m_initial_search_space_size(nvec_init < op.rows() ? nvec_init : 2 * m_number_eigenvalues),
+        m_correction_size(m_number_eigenvalues)
+    {
+        check_argument();
+        initialize();
+    }
+
+    JDSymEigsBase(OpType& op, Index nev) :
+        JDSymEigsBase(op, nev, 2 * nev, 10 * nev) {}
+
     ///
     /// Sets the Maxmium SearchspaceSize after which is deflated
     ///