some optimizations

5 files changed, 52 insertions, 21 deletions

diff --git a/lib/cluster.c b/lib/cluster.c
index fa417fa..7274eb9 100644
--- a/lib/cluster.c
+++ b/lib/cluster.c
@@ -193,8 +193,13 @@ v_t flip_cluster_vector(vector_state_t *s, v_t v0, double *rot, gsl_rng *r) {
 
 //    if (!tree_contains(T, v)) { // if the vertex hasn't already been flipped
     if (!marks[v]) {
+      bool v_is_external = false;
       double *s_old, *s_new, *R_tmp; 
 
+      if (v == s->g->nv - 1) {
+        v_is_external = true;
+      }
+
       //tree_insert(&T, v);
       marks[v] = true;
 
@@ -209,17 +214,24 @@ v_t flip_cluster_vector(vector_state_t *s, v_t v0, double *rot, gsl_rng *r) {
 
       for (v_t i = 0; i < nn; i++) {
         v_t vn = s->g->v_adj[s->g->v_i[v] + i];
+
+        bool vn_is_external = false;
+
+        if (vn == s->g->nv - 1) {
+          vn_is_external = true;
+        }
+
         double *sn;
-        if (vn != s->g->nv - 1) {
+
+        if (!vn_is_external) {
           sn = &(s->spins[s->n * vn]);
         }
-        double prob;
 
-        bool is_ext = (v == s->g->nv - 1 || vn == s->g->nv - 1);
+        double prob;
 
-        if (is_ext) {
+        if (v_is_external || vn_is_external) {
           double *rs_old, *rs_new;
-          if (vn == s->g->nv - 1) {
+          if (vn_is_external) {
             rs_old = vector_rotate_inverse(s->n, s->R, s_old);
             rs_new = vector_rotate_inverse(s->n, s->R, s_new);
           } else {
@@ -237,8 +249,6 @@ v_t flip_cluster_vector(vector_state_t *s, v_t v0, double *rot, gsl_rng *r) {
         } else {
           double dE = (s->J)(vector_dot(s->n, sn, s_old)) - (s->J)(vector_dot(s->n, sn, s_new));
           prob = 1.0 - exp(-dE / s->T);
-          //printf("(%g %g) (%g %g) (%g %g) %g\n", s_old[0], s_old[1], s_new[0], s_new[1], sn[0], sn[1], dE);
-          //getchar();
           s->E += dE;
         }
 
diff --git a/lib/measurement.c b/lib/measurement.c
index 435c749..ad824f6 100644
--- a/lib/measurement.c
+++ b/lib/measurement.c
@@ -2,10 +2,10 @@
 #include "measurement.h"
 
 double add_to_avg(double mx, double x, count_t n) {
-  return mx * (n / (n + 1.0)) + x * 1.0 / (n + 1.0);
+  return mx * (n / (n + 1.0)) + x / (n + 1.0);
 }
 
-void update_meas(meas_t *m, double x) {
+void meas_update(meas_t *m, double x) {
   count_t n = m->n;
 
   m->x = add_to_avg(m->x, x, n);
@@ -14,16 +14,30 @@ void update_meas(meas_t *m, double x) {
   m->m2 = add_to_avg(m->m2, pow(x - m->x, 2), n);
   m->m4 = add_to_avg(m->m4, pow(x - m->x, 4), n);
 
+  /*
   if (n > 1) {
     double s2 = n / (n - 1.) * (m->x2 - pow(m->x, 2));
     m->dx = sqrt(s2 / n);
     m->c = s2;
     m->dc = sqrt((m->m4 - (n - 3.)/(n - 1.) * pow(m->m2, 2)) / n);
   }
+  */
 
   (m->n)++;
 }
 
+double meas_dx(const meas_t *m) {
+  return sqrt(1. / (m->n - 1.) * (m->x2 - pow(m->x, 2)));
+}
+
+double meas_c(const meas_t *m) {
+  return m->n / (m->n - 1.) * (m->x2 - pow(m->x, 2));
+}
+
+double meas_dc(const meas_t *m) {
+  return sqrt((m->m4 - (m->n - 3.)/(m->n - 1.) * pow(m->m2, 2)) / m->n);
+}
+
 void update_autocorr(autocorr_t *OO, double O) {
   OO->O = add_to_avg(OO->O, O, OO->n);
   OO->O2 = add_to_avg(OO->O2, pow(O, 2), OO->n);
@@ -56,7 +70,7 @@ void update_autocorr(autocorr_t *OO, double O) {
   OO->n++;
 }
 
-double rho(autocorr_t *o, count_t i) {
+double rho(const autocorr_t *o, count_t i) {
   return (o->OO[i] - pow(o->O, 2)) / (o->O2 - pow(o->O, 2));
 }
 
diff --git a/lib/measurement.h b/lib/measurement.h
index 4ced4dc..a24df9f 100644
--- a/lib/measurement.h
+++ b/lib/measurement.h
@@ -8,12 +8,9 @@
 typedef struct {
   uint64_t n;
   double x;
-  double dx;
   double x2;
   double m2;
   double m4;
-  double c;
-  double dc;
 } meas_t;
 
 typedef struct {
@@ -25,9 +22,15 @@ typedef struct {
   double O2;
 } autocorr_t;
 
-void update_meas(meas_t *m, double x);
+void meas_update(meas_t *m, double x);
+
+double meas_dx(const meas_t *m);
+
+double meas_c(const meas_t *m);
+
+double meas_dc(const meas_t *m);
 
 void update_autocorr(autocorr_t *OO, double O);
 
-double rho(autocorr_t *o, uint64_t i);
+double rho(const autocorr_t *o, uint64_t i);
 
diff --git a/lib/orthogonal.c b/lib/orthogonal.c
index 7e0a71b..87569ae 100644
--- a/lib/orthogonal.c
+++ b/lib/orthogonal.c
@@ -2,24 +2,28 @@
 #include "orthogonal.h"
 
 void vector_replace(q_t n, double *v1, const double *v2) {
+  // writes vector v2 of length n to memory located at v1
   for (q_t i = 0; i < n; i++) {
     v1[i] = v2[i];
   }
 }
 
 void vector_add(q_t n, double *v1, const double *v2) {
+  // adds vector v2 of length n to vector v1
   for (q_t i = 0; i < n; i++) {
     v1[i] += v2[i];
   }
 }
 
 void vector_subtract(q_t n, double *v1, const double *v2) {
+  // subtracts vector v2 of length n from vector v1
   for (q_t i = 0; i < n; i++) {
     v1[i] -= v2[i];
   }
 }
 
-double *vector_rotate(q_t n, double *rot, double *vec) {
+double *vector_rotate(q_t n, const double *rot, const double *vec) {
+  // multiplies n by n rotation matrix rot to vector vec
   double *rot_vec = (double *)malloc(n * sizeof(double));
 
   double prod = 0.0;
@@ -46,7 +50,7 @@ double *vector_rotate_inverse(q_t n, const double *rot, const double *vec) {
   return rot_vec;
 }
 
-double vector_dot(q_t n, double *v1, double *v2) {
+double vector_dot(q_t n, const double *v1, const double *v2) {
   double dot = 0;
 
   for (q_t i = 0; i < n; i++) {
@@ -56,7 +60,7 @@ double vector_dot(q_t n, double *v1, double *v2) {
   return dot;
 }
 
-double *orthogonal_rotate(q_t n, double *r, double *m) {
+double *orthogonal_rotate(q_t n, const double *r, const double *m) {
   double *mul = (double *)calloc(n * n, sizeof(double));
 
   for (q_t i = 0; i < n; i++) {
diff --git a/lib/orthogonal.h b/lib/orthogonal.h
index a763b08..60d5f49 100644
--- a/lib/orthogonal.h
+++ b/lib/orthogonal.h
@@ -12,13 +12,13 @@ void vector_add(q_t n, double *v1, const double *v2);
 
 void vector_subtract(q_t n, double *v1, const double *v2);
 
-double *vector_rotate(q_t n, double *rot, double *vec);
+double *vector_rotate(q_t n, const double *rot, const double *vec);
 
 double *vector_rotate_inverse(q_t n, const double *rot, const double *vec);
 
-double vector_dot(q_t n, double *v1, double *v2);
+double vector_dot(q_t n, const double *v1, const double *v2);
 
-double *orthogonal_rotate(q_t n, double *m1, double *m2);
+double *orthogonal_rotate(q_t n, const double *m1, const double *m2);
 
 double *gen_rot(gsl_rng *r, q_t n);