wolff run from own function, called with types to run

2 files changed, 149 insertions, 37 deletions

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);
+}
+