-
Notifications
You must be signed in to change notification settings - Fork 0
/
OUTPUT.dat
175 lines (167 loc) · 5.5 KB
/
OUTPUT.dat
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
175
===================== HMC ALGORITHM =====================
GN model with HMC algorithm
Alpha machine, Version 1
type 0 for no prompts, 1 for prompts or 2 for list of prompts
Lattice dimensions = 16 16
COLDLAT: Cold initial config. of `sigma' field
Old Hamiltonian = 823.687463389996
New Hamiltonian = 820.5435860638712
DeltaH = -3.143877326124766
Accepted
trajectory = 0 , av_sigma = 0.23950270283237993
Old Hamiltonian = 1563.6624067915081
New Hamiltonian = 1572.8460834587922
DeltaH = 9.18367666728409
Old Hamiltonian = 1848.1034108337324
New Hamiltonian = 1947.5839874891406
DeltaH = 99.48057665540819
Old Hamiltonian = 1627.320595710664
New Hamiltonian = 1642.0994244615542
DeltaH = 14.77882875089017
Old Hamiltonian = 1923.401180748554
New Hamiltonian = 2952.2462004098265
DeltaH = 1028.8450196612725
Old Hamiltonian = 1445.2581501326022
New Hamiltonian = 1438.29999042913
DeltaH = -6.95815970347212
Accepted
trajectory = 1 , av_sigma = 1.1317697769253536
Old Hamiltonian = 1431.0064676102202
New Hamiltonian = 1464.5452261783257
DeltaH = 33.53875856810555
Old Hamiltonian = 1500.069722992546
New Hamiltonian = 1565.3012273795778
DeltaH = 65.23150438703169
Old Hamiltonian = 1397.4485703367427
New Hamiltonian = 1452.604239324447
DeltaH = 55.1556689877043
Old Hamiltonian = 1506.6176675194715
New Hamiltonian = 1560.7724532894101
DeltaH = 54.1547857699386
Old Hamiltonian = 1516.1468747017768
New Hamiltonian = 1556.1202642349542
DeltaH = 39.9733895331774
Old Hamiltonian = 1524.416022526319
New Hamiltonian = 1576.4389248254975
DeltaH = 52.02290229917844
Old Hamiltonian = 1386.6679768604195
New Hamiltonian = 1514.515079273119
DeltaH = 127.84710241269954
Old Hamiltonian = 1393.3187394148154
New Hamiltonian = 1421.7682448998353
DeltaH = 28.449505485019927
Old Hamiltonian = 1395.8935466052224
New Hamiltonian = 1512.2544116759636
DeltaH = 116.36086507074128
Old Hamiltonian = 1472.2088668547308
New Hamiltonian = 1515.4430031335717
DeltaH = 43.23413627884088
Old Hamiltonian = 1539.5554206099678
New Hamiltonian = 1591.87203588131
DeltaH = 52.31661527134224
Old Hamiltonian = 1513.3026001528112
New Hamiltonian = 1748.50098544702
DeltaH = 235.19838529420872
Old Hamiltonian = 1450.3812458034495
New Hamiltonian = 1493.1933776015799
DeltaH = 42.812131798130395
Old Hamiltonian = 1426.0545943299282
New Hamiltonian = 1467.061991856107
DeltaH = 41.00739752617869
Old Hamiltonian = 1487.2256616592533
New Hamiltonian = 1532.50196552719
DeltaH = 45.276303867936576
Old Hamiltonian = 1472.3049219869513
New Hamiltonian = 1637.889238673135
DeltaH = 165.58431668618368
Old Hamiltonian = 1354.679110012315
New Hamiltonian = 1451.7804245938917
DeltaH = 97.10131458157662
Old Hamiltonian = 1439.7736055436553
New Hamiltonian = 4967471.085470885
DeltaH = 4966031.311865341
Old Hamiltonian = 1467.2727305834662
New Hamiltonian = 1795.4845197174884
DeltaH = 328.2117891340222
Old Hamiltonian = 1391.6988208956732
New Hamiltonian = 1496477.081309936
DeltaH = 1495085.3824890403
Old Hamiltonian = 1424.56415249986
New Hamiltonian = 1460.8633500540973
DeltaH = 36.29919755423725
Old Hamiltonian = 1414.2298816200619
New Hamiltonian = 1445.6956039372453
DeltaH = 31.465722317183463
Old Hamiltonian = 1466.0475811955412
New Hamiltonian = 1490.4321873464098
DeltaH = 24.38460615086865
Old Hamiltonian = 1490.4756617805838
New Hamiltonian = 1545.1032671326195
DeltaH = 54.627605352035744
Old Hamiltonian = 1478.3740922554844
New Hamiltonian = 1495.9089012291065
DeltaH = 17.534808973622148
Old Hamiltonian = 1448.6181348840169
New Hamiltonian = 1447.0604854912283
DeltaH = -1.5576493927885622
Accepted
trajectory = 2 , av_sigma = 0.4095817664597794
Old Hamiltonian = 1878.120796124105
New Hamiltonian = 2005.2383702306367
DeltaH = 127.11757410653172
CG_MD Not Converged
===================== HMC ALGORITHM =====================
GN model with HMC algorithm
Alpha machine, Version 1
type 0 for no prompts, 1 for prompts or 2 for list of prompts
Lattice dimensions = 16 16
COLDLAT: Cold initial config. of `sigma' field
Old Hamiltonian = 848.6427812871467
New Hamiltonian = 843.4959155265517
DeltaH = -5.146865760595006
Accepted
trajectory = 0 , av_sigma = 0.2813746883665365
Old Hamiltonian = 1342.994022741857
New Hamiltonian = 1336.487439838906
DeltaH = -6.506582902950868
Accepted
trajectory = 1 , av_sigma = 1.0602524565527771
Old Hamiltonian = 1424.8810941588913
New Hamiltonian = 1855.3408931712772
DeltaH = 430.45979901238593
Old Hamiltonian = 1476.1170430612742
New Hamiltonian = 1495.3908584856354
DeltaH = 19.273815424361146
Old Hamiltonian = 1339.9868727858784
New Hamiltonian = 1377.9130003647615
DeltaH = 37.9261275788831
Old Hamiltonian = 1435.3124001486817
New Hamiltonian = 1473.1354883571685
DeltaH = 37.82308820848675
Old Hamiltonian = 1362.1675007945646
New Hamiltonian = 1402.2491136777885
DeltaH = 40.0816128832239
Old Hamiltonian = 1419.786976360225
New Hamiltonian = 1496.999112313822
DeltaH = 77.212135953597
Old Hamiltonian = 1438.1642553938232
New Hamiltonian = 1498.8708006716838
DeltaH = 60.70654527786064
Old Hamiltonian = 1377.442693645051
New Hamiltonian = 1389.5357984145853
DeltaH = 12.09310476953442
Old Hamiltonian = 1387.6201934632545
New Hamiltonian = 1448.2773071287068
DeltaH = 60.65711366545224
Old Hamiltonian = 1426.2526599647265
New Hamiltonian = 1473.9216708182234
DeltaH = 47.66901085349696
Old Hamiltonian = 1383.026701688971
New Hamiltonian = 1408.3372237968974
DeltaH = 25.310522107926545
Old Hamiltonian = 1375.8066495364667
New Hamiltonian = 1393.331875356258
DeltaH = 17.52522581979133
Old Hamiltonian = 1351.024003982611
New Hamiltonian = 1387.5384914363485
DeltaH = 36.5144874537375