updated RitzFilter enum and the input to run krylov schur

Grid/algorithms/Algorithms.h

@@ -81,7 +81,7 @@ NAMESPACE_CHECK(PowerMethod);
 NAMESPACE_CHECK(multigrid);
 #include <Grid/algorithms/FFT.h>
 
-#include <Grid/algorithms/iterative/Arnoldi.h>
 #include <Grid/algorithms/iterative/KrylovSchur.h>
+#include <Grid/algorithms/iterative/Arnoldi.h>
 
 #endif

Grid/algorithms/iterative/Arnoldi.h

@@ -8,8 +8,6 @@ Copyright (C) 2015
 
 Author: Peter Boyle <paboyle@ph.ed.ac.uk>
 Author: paboyle <paboyle@ph.ed.ac.uk>
-Author: Chulwoo Jung <chulwoo@bnl.gov>
-Author: Christoph Lehner <clehner@bnl.gov>
 Author: Patrick Oare <poare@bnl.gov>
 
 This program is free software; you can redistribute it and/or modify
@@ -34,37 +32,6 @@ See the full license in the file "LICENSE" in the top level distribution directo
 
 NAMESPACE_BEGIN(Grid); 
 
-/**
- * Options for which Ritz values to keep in implicit restart.
- */
-enum RitzFilter {
-  EvalNormSmall,           // Keep evals with smallest norm
-  EvalNormLarge,           // Keep evals with largest norm
-  EvalReSmall,             // Keep evals with smallest real part
-  EvalReLarge              // Keep evals with largest real part
-};
-
-// Select comparison function from RitzFilter
-struct ComplexComparator
-{
-  RitzFilter f;
-  ComplexComparator (RitzFilter _f) : f(_f) {}
-  bool operator()(std::complex<double> z1, std::complex<double> z2) { 
-    switch (f) {
-      case EvalNormSmall:
-        return std::abs(z1) < std::abs(z2);
-      case EvalNormLarge:
-        return std::abs(z1) > std::abs(z2);
-      case EvalReSmall:
-        return std::abs(std::real(z1)) < std::abs(std::real(z2));
-      case EvalReLarge:
-        return std::abs(std::real(z1)) > std::abs(std::real(z2));
-      default:
-        assert(0);
-    }
-  }
-};
-
 /**
  * Implementation of the Arnoldi algorithm.
  */

Grid/algorithms/iterative/KrylovSchur.h

@@ -8,8 +8,6 @@ Copyright (C) 2015
 
 Author: Peter Boyle <paboyle@ph.ed.ac.uk>
 Author: paboyle <paboyle@ph.ed.ac.uk>
-Author: Chulwoo Jung <chulwoo@bnl.gov>
-Author: Christoph Lehner <clehner@bnl.gov>
 Author: Patrick Oare <poare@bnl.gov>
 
 This program is free software; you can redistribute it and/or modify
@@ -32,14 +30,76 @@ See the full license in the file "LICENSE" in the top level distribution directo
 #ifndef GRID_KRYLOVSCHUR_H
 #define GRID_KRYLOVSCHUR_H
 
-// #include <Grid/Grid.h>
-// #include <Grid/parallelIO/IldgIOtypes.h>
-// #include <Grid/parallelIO/IldgIO.h>
-
-// #include <Grid/serialisation/emptyUserRecord.h>
-
 NAMESPACE_BEGIN(Grid); 
 
+/**
+ * Options for which Ritz values to keep in implicit restart. TODO move this and utilities into a new file
+ */
+enum RitzFilter {
+  EvalNormSmall,           // Keep evals with smallest norm
+  EvalNormLarge,           // Keep evals with largest norm
+  EvalReSmall,             // Keep evals with smallest real part
+  EvalReLarge,             // Keep evals with largest real part
+  EvalImSmall,             // Keep evals with smallest imaginary part
+  EvalImLarge              // Keep evals with largest imaginary part
+};
+
+/** Selects the RitzFilter corresponding to the input string. */
+RitzFilter selectRitzFilter(std::string s) {
+  if (s == "EvalNormSmall") { return EvalNormSmall; } else
+  if (s == "EvalNormLarge") { return EvalNormLarge; } else
+  if (s == "EvalReSmall")   { return EvalReSmall; }   else
+  if (s == "EvalReLarge")   { return EvalReLarge; }   else
+  if (s == "EvalImSmall")   { return EvalImSmall; }   else
+  if (s == "EvalImLarge")   { return EvalImLarge; }   else 
+  { assert(0); }
+}
+
+/** Returns a string saying which RitzFilter it is. */
+std::string rfToString(RitzFilter RF) {
+  switch (RF) {
+    case EvalNormSmall:
+      return "EvalNormSmall";
+    case EvalNormLarge:
+      return "EvalNormLarge";
+    case EvalReSmall:
+      return "EvalReSmall";
+    case EvalReLarge:
+      return "EvalReLarge";
+    case EvalImSmall:
+      return "EvalImSmall";
+    case EvalImLarge:
+      return "EvalImLarge";
+    default:
+      assert(0);
+  }
+}
+
+// Select comparison function from RitzFilter
+struct ComplexComparator
+{
+  RitzFilter RF;
+  ComplexComparator (RitzFilter _rf) : RF(_rf) {}
+  bool operator()(std::complex<double> z1, std::complex<double> z2) { 
+    switch (RF) {
+      case EvalNormSmall:
+        return std::abs(z1) < std::abs(z2);
+      case EvalNormLarge:
+        return std::abs(z1) > std::abs(z2);
+      case EvalReSmall:
+        return std::abs(std::real(z1)) < std::abs(std::real(z2));
+      case EvalReLarge:
+        return std::abs(std::real(z1)) > std::abs(std::real(z2));
+      case EvalImSmall:
+        return std::abs(std::imag(z1)) < std::abs(std::imag(z2));
+      case EvalImLarge:
+        return std::abs(std::imag(z1)) > std::abs(std::imag(z2));
+      default:
+        assert(0);
+    }
+  }
+};
+
 /**
  * Computes a complex Schur decomposition of a complex matrix A using Eigen's matrix library. The Schur decomposition,
  *    A = Q^\dag S Q

examples/Example_spec_kryschur.cc

@@ -350,6 +350,15 @@ int main (int argc, char ** argv)
   std::string file       = argv[5];
   std::string outDir     = argv[6];
 
+  RitzFilter RF;
+  if (argc == 8) {
+    std::string rf       = argv[7];
+    RF = selectRitzFilter(rf);
+  } else {
+    RF = EvalReSmall;
+  }
+  std::cout << "Sorting eigenvalues using " << rfToString(RF) << std::endl;
+
   //const int Ls=16;
   const int Ls = 8;
 
@@ -438,7 +447,7 @@ int main (int argc, char ** argv)
                   << ", Nstop = " << Nstop << std::endl;
   // Arnoldi Arn(PVdagM, FGrid, 1e-8);
   // Arn(src, maxIter, Nm, Nk, Nstop);
-  KrylovSchur KrySchur (PVdagM, FGrid, 1e-8);
+  KrylovSchur KrySchur (PVdagM, FGrid, 1e-8, RF);
   KrySchur(src, maxIter, Nm, Nk, Nstop);
 
   std::cout<<GridLogMessage << "*******************************************" << std::endl;