This repository has been archived by the owner on Jul 5, 2022. It is now read-only.
-
Notifications
You must be signed in to change notification settings - Fork 1
/
Copy pathinput.json
115 lines (115 loc) · 2.44 KB
/
input.json
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
{
"inverseTemperature": 1.0,
"nBeads": 10,
"nBlocks": 1000,
"stepsPerBlock": 1000,
"correlationSteps": 100,
"particles": [
100
],
"lBox": [
12.915496650148839,
12.915496650148839,
12.915496650148839
],
"seed": 18,
"checkPointFile": "chk.h5",
"movesTable": [
{
"weight": 0.8,
"move": {
"kind": "levy",
"reconstructionMaxLength": 3
},
"sectors": [
"open",
"closed"
]
},
{
"weight": 0.1,
"move": {
"kind": "translate",
"delta": 0.1
},
"sectors": [
"open",
"closed"
]
},
{
"weight": 0.2,
"move": {
"kind": "open",
"C": 0.1,
"reconstructionMaxLength": 3
},
"sectors": [
"closed"
]
},
{
"weight": 0.2,
"move": {
"kind": "close",
"C": 0.1,
"reconstructionMaxLength": 3
},
"sectors": [
"open"
]
},
{
"weight": 0.4,
"move": {
"kind": "moveHead",
"reconstructionMaxLength": 3
},
"sectors": [
"open"
]
},
{
"weight": 0.4,
"move": {
"kind": "moveTail",
"reconstructionMaxLength": 3
},
"sectors": [
"open"
]
},
{
"weight": 0.8,
"move": {
"kind": "swap",
"reconstructionMaxLength": 3
},
"sectors": [
"open"
]
}
],
"action": [
{
"kind": "twoBody",
"groupA": 0,
"groupB": 0,
"potential": {
"kind": "gaussian",
"V0": 11.057432794419006,
"alpha": 6.4577483250744185
}
}
],
"observables": [
{
"kind": "thermalEnergy",
"label": "energy"
},
{
"kind": "virialEnergy",
"label": "eV"
}
]
}