-
Notifications
You must be signed in to change notification settings - Fork 0
/
tca-connected-greens-Monte-Carlo.cpp
161 lines (137 loc) · 7.22 KB
/
tca-connected-greens-Monte-Carlo.cpp
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
#include "tca_library.hpp"
#include "extra.hpp"
int main(int argc, char* argv[])
{
cout << "Enter the size, U: ";
cin >> size >> U;
// int final_exp, initial_exp;
// cout << "Enter the number of MC sweeps, final and initial exponent: ";
// cin >> no_sweeps >> final_exp >> initial_exp;
int no_sweeps = 200;
int initial_exp = -2;
int final_exp = -1;
double final_temp = 10*pow(10,final_exp);
milliseconds begin_ms, end_ms;
begin_ms = duration_cast< milliseconds >(system_clock::now().time_since_epoch());
MatrixXd randsigma = MatrixXd::Zero(size, 3);
long idum = time(NULL);
for(int i=0; i<size; i++) randsigma(i,2) = 1;
for(int i=0; i<size; i++) greens_sigma_generate(randsigma, i, idum);
int Lc = size/2;
string filename, latticedata;
latticedata = "_U="+to_string(int(U))+"_size="+to_string(size)+"_sweeps="+to_string(no_sweeps)+"_Lc="+to_string(Lc);
filename="wolframscripts/tca_connected_spin_arrangement"+current_time_str()+latticedata+".nb"; ofstream outfile_spinarr(filename);
spinarrangement_Mathematica_output(randsigma,outfile_spinarr);
filename="data/tca_connected_m_length_vs_temp"+ current_time_str()+latticedata+".txt"; ofstream outfile_mlength(filename);
filename="data/tca_connected_free_energy_vs_temp"+current_time_str()+latticedata+".txt"; ofstream outfile_freeenergy(filename);
// filename="data/tca_connected_dos"+current_time_str()+latticedata+".txt"; ofstream outfile_dos(filename);
filename="data/mcdetails"+current_time_str()+latticedata+".txt"; ofstream outfile_mcdetails(filename);
cout << "==============================\n"<< "filename is: " << filename << "\n========================\n";
for(int j=final_exp; j>=initial_exp; j--)
{
for(double i=10; i>=2; i-=1)
{
int count_free_energy = 0;
double final_free_energy = 0;
double temperature = i*pow(10,j);
// double temperature = 0.001;
// MatrixXd dos_l, dos_r;
// MatrixXd average_dos_l = MatrixXd::Zero(dos_l.rows(),2);
// MatrixXd average_dos_r = MatrixXd::Zero(dos_r.rows(),2);
// MatrixXd updated_dos_l= MatrixXd::Zero(dos_l.rows(),2);
// MatrixXd updated_dos_r= MatrixXd::Zero(dos_r.rows(),2);
// int count_for_dos = 0;
for(int sweep=0; sweep<0.75*no_sweeps; sweep++)
{
for(int lattice_index=0; lattice_index<size; lattice_index++)
{
// double free_energy = filled_E_connected(randsigma, lattice_index, Lc, dos_l, dos_r);
double free_energy = filled_E_ed(randsigma,temperature,lattice_index,Lc);
MatrixXd suggested_randsigma = randsigma;
greens_sigma_generate(suggested_randsigma,lattice_index, idum);
// cout << suggested_randsigma << endl;
// double suggested_free_energy = filled_E_connected(suggested_randsigma, lattice_index, Lc, dos_l, dos_r);
double suggested_free_energy = filled_E_ed(suggested_randsigma,temperature,lattice_index,Lc);
double uniform_rv = ran0(&idum); double move_prob = exp((free_energy - suggested_free_energy)/temperature);
if(uniform_rv <= move_prob)
{
free_energy = suggested_free_energy;
randsigma.row(lattice_index) = suggested_randsigma.row(lattice_index);
outfile_mcdetails << "accepted: Temp=" << temperature << " Sweep= " << sweep << " uniform_rv="<< uniform_rv << " move_prob=" << move_prob << " free_energy=" << free_energy << " suggested_free_energy= " << suggested_free_energy << endl;
}
else
{
outfile_mcdetails << "rejected: Temp=" << temperature << " Sweep= " << sweep << " uniform_rv="<< uniform_rv << " move_prob=" << move_prob << " free_energy=" << free_energy << " suggested_free_energy= " << suggested_free_energy << endl;
}
}
cout << "\r sweep = " << sweep << " done."; cout.flush();
}
for(int sweep= int(0.75*no_sweeps); sweep<no_sweeps; sweep++)
{
for(int lattice_index=0; lattice_index<size; lattice_index++)
{
// double free_energy = filled_E_connected(randsigma, lattice_index, Lc, dos_l, dos_r);
double free_energy = filled_E_ed(randsigma,temperature,lattice_index,Lc);
MatrixXd suggested_randsigma = randsigma;
greens_sigma_generate(suggested_randsigma,lattice_index, idum);
// cout << suggested_randsigma << endl;
// double suggested_free_energy = filled_E_connected(suggested_randsigma, lattice_index, Lc, updated_dos_l, updated_dos_r);
double suggested_free_energy = filled_E_ed(suggested_randsigma,temperature,lattice_index,Lc);
double uniform_rv = ran0(&idum); double move_prob = exp((free_energy - suggested_free_energy)/temperature);
if(uniform_rv <= move_prob)
{
free_energy = suggested_free_energy;
randsigma.row(lattice_index) = suggested_randsigma.row(lattice_index);
outfile_mcdetails << "accepted: Temp=" << temperature << " Sweep= " << sweep << " uniform_rv="<< uniform_rv << " move_prob=" << move_prob << " free_energy=" << free_energy << " suggested_free_energy= " << suggested_free_energy << endl;
if(sweep%5==0)
{
final_free_energy += free_energy;
}
}
else
{
final_free_energy += free_energy;
outfile_mcdetails << "rejected: Temp=" << temperature << " Sweep= " << sweep << " uniform_rv="<< uniform_rv << " move_prob=" << move_prob << " free_energy=" << free_energy << " suggested_free_energy= " << suggested_free_energy << endl;
}
// if(uniform_rv <= move_prob){
// free_energy = suggested_free_energy;
// randsigma.row(lattice_index) = suggested_randsigma.row(lattice_index);
// if(sweep%5==0){
// average_dos_l += updated_dos_l;
// average_dos_r += updated_dos_r;
// count_for_dos++;
// }
// }
// else{
// if(sweep%5==0){
// average_dos_l += updated_dos_l;
// average_dos_r += updated_dos_r;
// count_for_dos++;
// }
// }
}
cout << "\r sweep = " << sweep << " done."; cout.flush();
}
outfile_mlength << setw(5) << temperature << " ";
for(int j=0; j<size; j++) outfile_mlength << " " << setw(5) << randsigma(j,2) << " ";
outfile_mlength << endl;
outfile_freeenergy << temperature << " " << final_free_energy/double(count_free_energy) << endl;
// for(int i=0; i<average_dos_l.rows(); i++)
// {
// outfile_dos << average_dos_l(i,0)/double(count_for_dos) << " " << average_dos_l(i,1)/double(count_for_dos) << " " << average_dos_r(i,1)/double(count_for_dos) << endl;
// }
// cout << "count for dos = " << count_for_dos << endl;
cout << "\rtemperature = " << temperature << " done."; cout.flush();
}
}
cout << endl;
end_ms = duration_cast< milliseconds >(system_clock::now().time_since_epoch());
show_time(begin_ms, end_ms,"TCA calculation");
spinarrangement_Mathematica_output(randsigma,outfile_spinarr);
outfile_mlength.close();
outfile_mcdetails.close();
outfile_freeenergy.close();
// outfile_dos.close();
outfile_spinarr.close();
return 0;
}