wolff run from own function, called with types to run

6 files changed, 308 insertions, 174 deletions

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 7c1bc32..ffbde47 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -12,7 +12,8 @@ link_directories(~/.local/lib)
 file(GLOB CSOURCES lib/*.c)
 file(GLOB CPPSOURCES lib/*.cpp)
 add_executable(wolff_finite src/wolff_finite.c ${CSOURCES})
-add_executable(wolff src/wolff.cpp ${CPPSOURCES} ${CSOURCES})
+add_executable(wolff_heisenberg src/wolff_heisenberg.cpp ${CPPSOURCES} ${CSOURCES})
+add_executable(wolff_planar src/wolff_planar.cpp ${CPPSOURCES} ${CSOURCES})
 
 find_package(OpenMP)
 if (OPENMP_FOUND)
@@ -21,7 +22,8 @@ if (OPENMP_FOUND)
 endif()
 
 target_link_libraries(wolff_finite gsl m cblas fftw3)
-target_link_libraries(wolff gsl m cblas fftw3)
+target_link_libraries(wolff_heisenberg gsl m cblas fftw3)
+target_link_libraries(wolff_planar gsl m cblas fftw3)
 
-install(TARGETS wolff_finite wolff DESTINATION bin)
+install(TARGETS wolff_finite wolff_heisenberg wolff_planar DESTINATION bin)
 
diff --git a/lib/orthogonal.h b/lib/orthogonal.h
index 0b2fdd5..0a2b5c7 100644
--- a/lib/orthogonal.h
+++ b/lib/orthogonal.h
@@ -9,10 +9,11 @@
 #include "types.h"
 
 template <q_t q, class T>
-struct orthogonal_t { T *x; };
+struct orthogonal_t { bool is_reflection; T *x; };
 
 template <q_t q, class T>
 void init(orthogonal_t <q, T> *ptr) {
+  ptr->is_reflection = false;
   ptr->x = (T *)calloc(q * q, sizeof(T));
 
   for (q_t i = 0; i < q; i++) {
@@ -23,9 +24,19 @@ void init(orthogonal_t <q, T> *ptr) {
 template <q_t q, class T>
 orthogonal_t <q, T> copy (orthogonal_t <q, T> m) {
   orthogonal_t <q, T> m_copy;
-  m_copy.x = (T *)calloc(q * q, sizeof(T));
+  m_copy.is_reflection = m.is_reflection;
 
-  for (q_t i = 0; i < q * q; i++) {
+  q_t size;
+
+  if (m.is_reflection) {
+    size = q;
+  } else {
+    size = q * q;
+  }
+
+  m_copy.x = (T *)calloc(size, sizeof(T));
+
+  for (q_t i = 0; i < size; i++) {
     m_copy.x[i] = m.x[i];
   }
 
@@ -42,9 +53,19 @@ vector_t <q, T> act (orthogonal_t <q, T> m, vector_t <q, T> v) {
   vector_t <q, T> v_rot;
   v_rot.x = (T *)calloc(q, sizeof(T));
 
-  for (q_t i = 0; i < q; i++) {
-    for (q_t j = 0; j < q; j++) {
-      v_rot.x[i] += m.x[q * i + j] * v.x[j];
+  if (m.is_reflection) {
+    double prod = 0;
+    for (q_t i = 0; i < q; i++) {
+      prod += v.x[i] * m.x[i];
+    }
+    for (q_t i = 0; i < q; i++) {
+      v_rot.x[i] = v.x[i] - 2 * prod * m.x[i];
+    }
+  } else {
+    for (q_t i = 0; i < q; i++) {
+      for (q_t j = 0; j < q; j++) {
+        v_rot.x[i] += m.x[q * i + j] * v.x[j];
+      }
     }
   }
 
@@ -54,12 +75,28 @@ vector_t <q, T> act (orthogonal_t <q, T> m, vector_t <q, T> v) {
 template <q_t q, class T>
 orthogonal_t <q, T> act (orthogonal_t <q, T> m1, orthogonal_t <q, T> m2) {
   orthogonal_t <q, T> m2_rot;
+
+  m2_rot.is_reflection = false;
   m2_rot.x = (T *)calloc(q * q, sizeof(T));
 
-  for (q_t i = 0; i < q; i++) {
-    for (q_t j = 0; j < q; j++) {
+  if (m1.is_reflection) {
+    for (q_t i = 0; i < q; i++) {
+      double akOki = 0;
+
       for (q_t k = 0; k < q; k++) {
-        m2_rot.x[i * q + j] += m1.x[i * q + j] * m2.x[j * q + k];
+        akOki += m1.x[k] * m2.x[q * k + i];
+      }
+
+      for (q_t j = 0; j < q; j++) {
+        m2_rot.x[q * j + i] = m2.x[q * j + i] - 2 * akOki * m1.x[j];
+      }
+    }
+  } else {
+    for (q_t i = 0; i < q; i++) {
+      for (q_t j = 0; j < q; j++) {
+        for (q_t k = 0; k < q; k++) {
+          m2_rot.x[i * q + j] += m1.x[i * q + j] * m2.x[j * q + k];
+        }
       }
     }
   }
@@ -69,54 +106,59 @@ orthogonal_t <q, T> act (orthogonal_t <q, T> m1, orthogonal_t <q, T> m2) {
 
 template <q_t q, class T>
 vector_t <q, T> act_inverse (orthogonal_t <q, T> m, vector_t <q, T> v) {
-  vector_t <q, T> v_rot;
-  v_rot.x = (T *)calloc(q, sizeof(T));
-
-  for (q_t i = 0; i < q; i++) {
-    for (q_t j = 0; j < q; j++) {
-      v_rot.x[i] += m.x[q * j + i] * v.x[j];
+  if (m.is_reflection) {
+    return act(m, v); // reflections are their own inverse
+  } else {
+    vector_t <q, T> v_rot;
+    v_rot.x = (T *)calloc(q, sizeof(T));
+
+    for (q_t i = 0; i < q; i++) {
+      for (q_t j = 0; j < q; j++) {
+        v_rot.x[i] += m.x[q * j + i] * v.x[j];
+      }
     }
-  }
 
-  return v_rot;
+    return v_rot;
+  }
 }
 
 template <q_t q, class T>
 orthogonal_t <q, T> act_inverse (orthogonal_t <q, T> m1, orthogonal_t <q, T> m2) {
-  orthogonal_t <q, T> m2_rot;
-  m2_rot.x = (T *)calloc(q * q, sizeof(T));
-
-  for (q_t i = 0; i < q; i++) {
-    for (q_t j = 0; j < q; j++) {
-      for (q_t k = 0; k < q; k++) {
-        m2_rot.x[i * q + j] += m1.x[j * q + i] * m2.x[j * q + k];
+  if (m1.is_reflection) {
+    return act(m1, m2); // reflections are their own inverse
+  } else {
+    orthogonal_t <q, T> m2_rot;
+    m2_rot.x = (T *)calloc(q * q, sizeof(T));
+
+    for (q_t i = 0; i < q; i++) {
+      for (q_t j = 0; j < q; j++) {
+        for (q_t k = 0; k < q; k++) {
+          m2_rot.x[i * q + j] += m1.x[j * q + i] * m2.x[j * q + k];
+        }
       }
     }
-  }
 
-  return m2_rot;
+    return m2_rot;
+  }
 }
 
 template <q_t q>
 void generate_rotation (gsl_rng *r, orthogonal_t <q, double> *ptr) {
-  double *v = (double *)malloc(q * sizeof(double));
+  ptr->is_reflection = true;
+  ptr->x = (double *)calloc(q, sizeof(double));
+
   double v2 = 0;
 
   for (q_t i = 0; i < q; i++) {
-    v[i] = gsl_ran_ugaussian(r);
-    v2 += v[i] * v[i];
+    ptr->x[i] = gsl_ran_ugaussian(r);
+    v2 += ptr->x[i] * ptr->x[i];
   }
 
-  ptr->x = (double *)calloc(q * q, sizeof(double));
-  
+  double mag_v = sqrt(v2);
+
   for (q_t i = 0; i < q; i++) {
-    ptr->x[q * i + i] = 1.0;
-    for (q_t j = 0; j < q; j++) {
-      ptr->x[q * i + j] -= 2 * v[i] * v[j] / v2;
-    }
+    ptr->x[i] /= mag_v;
   }
-
-  free(v);
 }
 
 
diff --git a/lib/wolff.h b/lib/wolff.h
new file mode 100644
index 0000000..81830ee
--- /dev/null
+++ b/lib/wolff.h
@@ -0,0 +1,70 @@
+
+#include <time.h>
+#include <getopt.h>
+
+#include <cluster.h>
+
+template <q_t q, class T>
+double H_vector(vector_t <q, T> v1, T *H) {
+  vector_t <q, T> H_vec;
+  H_vec.x = H;
+  return (double)(dot <q, T> (v1, H_vec));
+}
+
+template <class R_t, class X_t>
+void wolff(count_t N, D_t D, L_t L, double T, std::function <double(X_t, X_t)> J, std::function <double(X_t)> H, unsigned long timestamp, bool silent) {
+
+  state_t <R_t, X_t> s(D, L, T, J, H);
+
+  // initialize random number generator
+  gsl_rng *r = gsl_rng_alloc(gsl_rng_mt19937);
+  gsl_rng_set(r, rand_seed());
+
+  char *filename_M = (char *)malloc(255 * sizeof(char));
+  char *filename_E = (char *)malloc(255 * sizeof(char));
+  char *filename_S = (char *)malloc(255 * sizeof(char));
+
+  sprintf(filename_M, "wolff_%lu_M.dat", timestamp);
+  sprintf(filename_E, "wolff_%lu_E.dat", timestamp);
+  sprintf(filename_S, "wolff_%lu_S.dat", timestamp);
+
+  FILE *outfile_M = fopen(filename_M, "wb");
+  FILE *outfile_E = fopen(filename_E, "wb");
+  FILE *outfile_S = fopen(filename_S, "wb");
+
+  free(filename_M);
+  free(filename_E);
+  free(filename_S);
+
+  v_t cluster_size = 0;
+
+  if (!silent) printf("\n");
+  for (count_t steps = 0; steps < N; steps++) {
+    if (!silent) printf("\033[F\033[JWOLFF: sweep %" PRIu64 " / %" PRIu64 ": E = %.2f, M_0 = %.2f, S = %" PRIv "\n", steps, N, s.E, s.M.x[0], cluster_size);
+
+    v_t v0 = gsl_rng_uniform_int(r, s.nv);
+     
+    R_t step;
+    generate_rotation(r, &step);
+
+    cluster_size = flip_cluster <R_t, X_t> (&s, v0, step, r);
+
+    free_spin(step);
+
+    fwrite(&(s.E), sizeof(double), 1, outfile_E);
+    fwrite(s.M.x, sizeof(double), 2, outfile_M);
+    fwrite(&cluster_size, sizeof(uint32_t), 1, outfile_S);
+
+  }
+  if (!silent) {
+    printf("\033[F\033[J");
+  }
+  printf("WOLFF: sweep %" PRIu64 " / %" PRIu64 ": E = %.2f, M_0 = %.2f, S = %" PRIv "\n", N, N, s.E, s.M.x[0], cluster_size);
+
+  fclose(outfile_M);
+  fclose(outfile_E);
+  fclose(outfile_S);
+
+  gsl_rng_free(r);
+}
+
diff --git a/src/wolff.cpp b/src/wolff.cpp
deleted file mode 100644
index f685129..0000000
--- a/src/wolff.cpp
+++ /dev/null
@@ -1,134 +0,0 @@
-
-#include <time.h>
-#include <getopt.h>
-
-#include <cluster.h>
-
-double H_vector(vector_t <2, double> v1, double *H) {
-  vector_t <2, double> H_vec;
-  H_vec.x = H;
-  return dot <2, double> (v1, H_vec);
-}
-
-int main(int argc, char *argv[]) {
-
-  count_t N = (count_t)1e7;
-
-  D_t D = 2;
-  L_t L = 128;
-  double T = 2.26918531421;
-  double *H = (double *)calloc(MAX_Q, sizeof(double));
-
-  bool silent = false;
-
-  int opt;
-  q_t J_ind = 0;
-  q_t H_ind = 0;
-
-  while ((opt = getopt(argc, argv, "N:q:D:L:T:J:H:s")) != -1) {
-    switch (opt) {
-    case 'N': // number of steps
-      N = (count_t)atof(optarg);
-      break;
-    case 'D': // dimension
-      D = atoi(optarg);
-      break;
-    case 'L': // linear size
-      L = atoi(optarg);
-      break;
-    case 'T': // temperature 
-      T = atof(optarg);
-      break;
-    case 'H': // external field. nth call couples to state n
-      H[H_ind] = atof(optarg);
-      H_ind++;
-      break;
-    case 's': // don't print anything during simulation. speeds up slightly
-      silent = true;
-      break;
-    default:
-      exit(EXIT_FAILURE);
-    }
-  }
-
-  state_t <orthogonal_t <2, double>, vector_t <2, double>> s(D, L, T, dot <2, double>, std::bind(H_vector, std::placeholders::_1, H));
-
-  // initialize random number generator
-  gsl_rng *r = gsl_rng_alloc(gsl_rng_mt19937);
-  gsl_rng_set(r, rand_seed());
-
-  unsigned long timestamp;
-
-  {
-    struct timespec spec;
-    clock_gettime(CLOCK_REALTIME, &spec);
-    timestamp = spec.tv_sec*1000000000LL + spec.tv_nsec;
-  }
-
-  FILE *outfile_info = fopen("wolff_metadata.txt", "a");
-
-  fprintf(outfile_info, "<| \"ID\" -> %lu, \"D\" -> %" PRID ", \"L\" -> %" PRIL ", \"NV\" -> %" PRIv ", \"NE\" -> %" PRIv ", \"T\" -> %.15f, \"H\" -> {", timestamp, D, L, s.nv, s.ne, T);
-
-  for (q_t i = 0; i < 2; i++) {
-    fprintf(outfile_info, "%.15f", H[i]);
-    if (i < 2 - 1) {
-      fprintf(outfile_info, ", ");
-    }
-  }
-
-  fprintf(outfile_info, "} |>\n");
-
-  fclose(outfile_info);
-
-  char *filename_M = (char *)malloc(255 * sizeof(char));
-  char *filename_E = (char *)malloc(255 * sizeof(char));
-  char *filename_S = (char *)malloc(255 * sizeof(char));
-
-  sprintf(filename_M, "wolff_%lu_M.dat", timestamp);
-  sprintf(filename_E, "wolff_%lu_E.dat", timestamp);
-  sprintf(filename_S, "wolff_%lu_S.dat", timestamp);
-
-  FILE *outfile_M = fopen(filename_M, "wb");
-  FILE *outfile_E = fopen(filename_E, "wb");
-  FILE *outfile_S = fopen(filename_S, "wb");
-
-  free(filename_M);
-  free(filename_E);
-  free(filename_S);
-
-  v_t cluster_size = 0;
-
-  if (!silent) printf("\n");
-  for (count_t steps = 0; steps < N; steps++) {
-    if (!silent) printf("\033[F\033[JWOLFF: sweep %" PRIu64 " / %" PRIu64 ": E = %.2f, M_0 = %.2f, S = %" PRIv "\n", steps, N, s.E, s.M.x[0], cluster_size);
-
-    v_t v0 = gsl_rng_uniform_int(r, s.nv);
-     
-    orthogonal_t <2, double> step;
-    generate_rotation<2>(r, &step);
-
-    cluster_size = flip_cluster <orthogonal_t <2, double>, vector_t <2, double>> (&s, v0, step, r);
-
-    free_spin(step);
-
-    fwrite(&(s.E), sizeof(double), 1, outfile_E);
-    fwrite(s.M.x, sizeof(double), 2, outfile_M);
-    fwrite(&cluster_size, sizeof(uint32_t), 1, outfile_S);
-
-  }
-  if (!silent) {
-    printf("\033[F\033[J");
-  }
-  printf("WOLFF: sweep %" PRIu64 " / %" PRIu64 ": E = %.2f, M_0 = %.2f, S = %" PRIv "\n", N, N, s.E, s.M.x[0], cluster_size);
-
-  fclose(outfile_M);
-  fclose(outfile_E);
-  fclose(outfile_S);
-
-  gsl_rng_free(r);
-
-  free(H);
-
-  return 0;
-}
-
diff --git a/src/wolff_heisenberg.cpp b/src/wolff_heisenberg.cpp
new file mode 100644
index 0000000..d1ebd48
--- /dev/null
+++ b/src/wolff_heisenberg.cpp
@@ -0,0 +1,77 @@
+
+#include <getopt.h>
+
+#include <wolff.h>
+
+int main(int argc, char *argv[]) {
+
+  count_t N = (count_t)1e7;
+
+  D_t D = 2;
+  L_t L = 128;
+  double T = 2.26918531421;
+  double *H = (double *)calloc(MAX_Q, sizeof(double));
+
+  bool silent = false;
+
+  int opt;
+  q_t J_ind = 0;
+  q_t H_ind = 0;
+
+  while ((opt = getopt(argc, argv, "N:q:D:L:T:J:H:s")) != -1) {
+    switch (opt) {
+    case 'N': // number of steps
+      N = (count_t)atof(optarg);
+      break;
+    case 'D': // dimension
+      D = atoi(optarg);
+      break;
+    case 'L': // linear size
+      L = atoi(optarg);
+      break;
+    case 'T': // temperature 
+      T = atof(optarg);
+      break;
+    case 'H': // external field. nth call couples to state n
+      H[H_ind] = atof(optarg);
+      H_ind++;
+      break;
+    case 's': // don't print anything during simulation. speeds up slightly
+      silent = true;
+      break;
+    default:
+      exit(EXIT_FAILURE);
+    }
+  }
+
+  unsigned long timestamp;
+
+  {
+    struct timespec spec;
+    clock_gettime(CLOCK_REALTIME, &spec);
+    timestamp = spec.tv_sec*1000000000LL + spec.tv_nsec;
+  }
+
+  FILE *outfile_info = fopen("wolff_metadata.txt", "a");
+
+  fprintf(outfile_info, "<| \"ID\" -> %lu, \"MODEL\" -> \"HEISENBERG\", q -> \"3\", \"D\" -> %" PRID ", \"L\" -> %" PRIL ", \"NV\" -> %" PRIv ", \"NE\" -> %" PRIv ", \"T\" -> %.15f, \"H\" -> {", timestamp, D, L, L * L, D * L * L, T);
+
+  for (q_t i = 0; i < 2; i++) {
+    fprintf(outfile_info, "%.15f", H[i]);
+    if (i < 2 - 1) {
+      fprintf(outfile_info, ", ");
+    }
+  }
+
+  fprintf(outfile_info, "} |>\n");
+
+  fclose(outfile_info);
+
+
+  wolff <orthogonal_t <3, double>, vector_t <3, double>> (N, D, L, T, dot <3, double>, std::bind(H_vector <3, double>, std::placeholders::_1, H), timestamp, silent);
+
+  free(H);
+
+  return 0;
+}
+
diff --git a/src/wolff_planar.cpp b/src/wolff_planar.cpp
new file mode 100644
index 0000000..02ededc
--- /dev/null
+++ b/src/wolff_planar.cpp
@@ -0,0 +1,77 @@
+
+#include <getopt.h>
+
+#include <wolff.h>
+
+int main(int argc, char *argv[]) {
+
+  count_t N = (count_t)1e7;
+
+  D_t D = 2;
+  L_t L = 128;
+  double T = 2.26918531421;
+  double *H = (double *)calloc(MAX_Q, sizeof(double));
+
+  bool silent = false;
+
+  int opt;
+  q_t J_ind = 0;
+  q_t H_ind = 0;
+
+  while ((opt = getopt(argc, argv, "N:q:D:L:T:J:H:s")) != -1) {
+    switch (opt) {
+    case 'N': // number of steps
+      N = (count_t)atof(optarg);
+      break;
+    case 'D': // dimension
+      D = atoi(optarg);
+      break;
+    case 'L': // linear size
+      L = atoi(optarg);
+      break;
+    case 'T': // temperature 
+      T = atof(optarg);
+      break;
+    case 'H': // external field. nth call couples to state n
+      H[H_ind] = atof(optarg);
+      H_ind++;
+      break;
+    case 's': // don't print anything during simulation. speeds up slightly
+      silent = true;
+      break;
+    default:
+      exit(EXIT_FAILURE);
+    }
+  }
+
+  unsigned long timestamp;
+
+  {
+    struct timespec spec;
+    clock_gettime(CLOCK_REALTIME, &spec);
+    timestamp = spec.tv_sec*1000000000LL + spec.tv_nsec;
+  }
+
+  FILE *outfile_info = fopen("wolff_metadata.txt", "a");
+
+  fprintf(outfile_info, "<| \"ID\" -> %lu, \"MODEL\" -> \"PLANAR\", \"q\" -> 2, \"D\" -> %" PRID ", \"L\" -> %" PRIL ", \"NV\" -> %" PRIv ", \"NE\" -> %" PRIv ", \"T\" -> %.15f, \"H\" -> {", timestamp, D, L, L * L, D * L * L, T);
+
+  for (q_t i = 0; i < 2; i++) {
+    fprintf(outfile_info, "%.15f", H[i]);
+    if (i < 2 - 1) {
+      fprintf(outfile_info, ", ");
+    }
+  }
+
+  fprintf(outfile_info, "} |>\n");
+
+  fclose(outfile_info);
+
+
+  wolff <orthogonal_t <2, double>, vector_t <2, double>> (N, D, L, T, dot <2, double>, std::bind(H_vector <2, double>, std::placeholders::_1, H), timestamp, silent);
+
+  free(H);
+
+  return 0;
+}
+