1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
|
#include "wolff.h"
v_t flip_cluster(ising_state_t *s, v_t v0, q_t step, gsl_rng *r) {
v_t nv = 0;
ll_t *stack = NULL; // create a new stack
stack_push(&stack, v0); // push the initial vertex to the stack
//node_t *T = NULL;
bool *marks = (bool *)calloc(s->g->nv, sizeof(bool));
while (stack != NULL) {
v_t v = stack_pop(&stack);
// if (!tree_contains(T, v)) { // if the vertex hasn't already been flipped
if (!marks[v]) {
q_t s_old, s_new;
dihedral_t *R_tmp;
//tree_insert(&T, v);
marks[v] = true;
if (v == s->g->nv - 1) {
R_tmp = dihedral_compose(s->q, step, s->R);
} else {
s_old = s->spins[v];
s_new = dihedral_act(s->q, step, s_old); // free me! I'm a new vector
}
v_t nn = s->g->v_i[v + 1] - s->g->v_i[v];
for (v_t i = 0; i < nn; i++) {
v_t vn = s->g->v_adj[s->g->v_i[v] + i];
q_t sn;
if (vn != s->g->nv - 1) {
sn = s->spins[vn];
}
double prob;
bool is_ext = (v == s->g->nv - 1 || vn == s->g->nv - 1);
if (is_ext) {
q_t rs_old, rs_new;
if (vn == s->g->nv - 1) {
rs_old = dihedral_inverse_act(s->q, s->R, s_old);
rs_new = dihedral_inverse_act(s->q, s->R, s_new);
} else {
rs_old = dihedral_inverse_act(s->q, s->R, sn);
rs_new = dihedral_inverse_act(s->q, R_tmp, sn);
}
prob = s->H_probs[rs_new * s->q + rs_old];
s->M[rs_old]--;
s->M[rs_new]++;
s->E += - s->H[rs_new] + s->H[rs_old];
} else {
q_t M_ind_0 = (s_old + s->q - sn) % s->q;
q_t M_ind_1 = (s_new + s->q - sn) % s->q;
prob = s->J_probs[M_ind_1 * s->q + M_ind_0];
s->E += - s->J[M_ind_1] + s->J[M_ind_0];
}
if (gsl_rng_uniform(r) < prob) { // and with probability ps[e]...
stack_push(&stack, vn); // push the neighboring vertex to the stack
}
}
if (v == s->g->nv - 1) {
free(s->R);
s->R = R_tmp;
} else {
s->spins[v] = s_new;
}
if (v != s->g->nv - 1) { // count the number of non-external sites that flip
nv++;
}
}
}
//tree_freeNode(T);
free(marks);
return nv;
}
v_t flip_cluster_vector(vector_state_t *s, v_t v0, double *rot, gsl_rng *r) {
v_t nv = 0;
ll_t *stack = NULL; // create a new stack
stack_push(&stack, v0); // push the initial vertex to the stack
//node_t *T = NULL;
bool *marks = (bool *)calloc(s->g->nv, sizeof(bool));
while (stack != NULL) {
v_t v = stack_pop(&stack);
// if (!tree_contains(T, v)) { // if the vertex hasn't already been flipped
if (!marks[v]) {
double *s_old, *s_new, *R_tmp;
//tree_insert(&T, v);
marks[v] = true;
if (v == s->g->nv - 1) {
R_tmp = orthogonal_rotate(s->n, rot, s->R);
} else {
s_old = &(s->spins[s->n * v]); // don't free me! I'm a pointer within array s->spins
s_new = vector_rotate(s->n, rot, s_old); // free me! I'm a new vector
}
v_t nn = s->g->v_i[v + 1] - s->g->v_i[v];
for (v_t i = 0; i < nn; i++) {
v_t vn = s->g->v_adj[s->g->v_i[v] + i];
double *sn;
if (vn != s->g->nv - 1) {
sn = &(s->spins[s->n * vn]);
}
double prob;
bool is_ext = (v == s->g->nv - 1 || vn == s->g->nv - 1);
if (is_ext) {
double *rs_old, *rs_new;
if (vn == s->g->nv - 1) {
rs_old = vector_rotate_inverse(s->n, s->R, s_old);
rs_new = vector_rotate_inverse(s->n, s->R, s_new);
} else {
rs_old = vector_rotate_inverse(s->n, s->R, sn);
rs_new = vector_rotate_inverse(s->n, R_tmp, sn);
}
double dE = s->H(rs_old) - s->H(rs_new);
prob = 1.0 - exp(-dE / s->T);
vector_subtract(s->n, s->M, rs_old);
vector_add(s->n, s->M, rs_new);
s->E += dE;
free(rs_old);
free(rs_new);
} 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;
}
if (gsl_rng_uniform(r) < prob) { // and with probability ps[e]...
stack_push(&stack, vn); // push the neighboring vertex to the stack
}
}
if (v == s->g->nv - 1) {
free(s->R);
s->R = R_tmp;
} else {
vector_replace(s->n, s_old, s_new);
free(s_new);
}
if (v != s->g->nv - 1) { // count the number of non-external sites that flip
nv++;
}
}
}
//tree_freeNode(T);
free(marks);
return nv;
}
|
