Refactor PME tests for better usability
[alexxy/gromacs.git] / src / gromacs / ewald / tests / refdata / Pme_SplineAndSpreadTest_WorksWith_box_tric_order_3_grid_16_12_14_system_2_atoms.xml
1 <?xml version="1.0"?>
2 <?xml-stylesheet type="text/xsl" href="referencedata.xsl"?>
3 <ReferenceData>
4   <Splines Name="Values">
5     <Sequence Name="X">
6       <Int Name="Length">6</Int>
7       <Real>0.16406923832149337</Real>
8       <Real>0.74469524848411051</Real>
9       <Real>0.091235513194396184</Real>
10       <Real>0.0022143185924122905</Real>
11       <Real>0.56211936943313945</Real>
12       <Real>0.43566631197444827</Real>
13     </Sequence>
14     <Sequence Name="Y">
15       <Int Name="Length">6</Int>
16       <Real>0.0072230479931503222</Real>
17       <Real>0.60574581716221632</Real>
18       <Real>0.38703113484463336</Real>
19       <Real>0.038167928761842988</Real>
20       <Real>0.69995358766683513</Real>
21       <Real>0.26187848357132187</Real>
22     </Sequence>
23     <Sequence Name="Z">
24       <Int Name="Length">6</Int>
25       <Real>0.2794087591578463</Real>
26       <Real>0.68872346271189799</Real>
27       <Real>0.031867778130255688</Real>
28       <Real>0.2794087591578463</Real>
29       <Real>0.68872346271189799</Real>
30       <Real>0.031867778130255688</Real>
31     </Sequence>
32   </Splines>
33   <Splines Name="Derivatives">
34     <Sequence Name="X">
35       <Int Name="Length">6</Int>
36       <Real>-0.57283372512709718</Real>
37       <Real>0.14566745025419436</Real>
38       <Real>0.42716627487290282</Real>
39       <Real>-0.066548006617964006</Real>
40       <Real>-0.86690398676407199</Real>
41       <Real>0.93345199338203599</Real>
42     </Sequence>
43     <Sequence Name="Y">
44       <Int Name="Length">6</Int>
45       <Real>-0.12019191314851696</Real>
46       <Real>-0.75961617370296608</Real>
47       <Real>0.87980808685148304</Real>
48       <Real>-0.27628944519052112</Real>
49       <Real>-0.44742110961895776</Real>
50       <Real>0.72371055480947888</Real>
51     </Sequence>
52     <Sequence Name="Z">
53       <Int Name="Length">6</Int>
54       <Real>-0.74754098102759059</Real>
55       <Real>0.49508196205518118</Real>
56       <Real>0.25245901897240941</Real>
57       <Real>-0.74754098102759059</Real>
58       <Real>0.49508196205518118</Real>
59       <Real>0.25245901897240941</Real>
60     </Sequence>
61   </Splines>
62   <Sequence Name="Gridline indices">
63     <Int Name="Length">2</Int>
64     <Vector>
65       <Int Name="X">4</Int>
66       <Int Name="Y">2</Int>
67       <Int Name="Z">0</Int>
68     </Vector>
69     <Vector>
70       <Int Name="X">15</Int>
71       <Int Name="Y">4</Int>
72       <Int Name="Z">0</Int>
73     </Vector>
74   </Sequence>
75   <NonZeroGridValues Name="RealSpaceGrid">
76     <Real Name="Cell 0 4 0">0.023798943058854972</Real>
77     <Real Name="Cell 0 4 1">0.058662765339858897</Real>
78     <Real Name="Cell 0 4 2">0.0027143724463760469</Real>
79     <Real Name="Cell 0 5 0">0.43644379239613479</Real>
80     <Real Name="Cell 0 5 1">1.0758040688637358</Real>
81     <Real Name="Cell 0 5 2">0.049778303244065715</Real>
82     <Real Name="Cell 0 6 0">0.16328973882082448</Real>
83     <Real Name="Cell 0 6 1">0.40249802720918582</Real>
84     <Real Name="Cell 0 6 2">0.018623901352891086</Real>
85     <Real Name="Cell 1 4 0">0.018445188540286542</Real>
86     <Real Name="Cell 1 4 1">0.045466126975150789</Real>
87     <Real Name="Cell 1 4 2">0.002103753575028464</Real>
88     <Real Name="Cell 1 5 0">0.33826241854841871</Real>
89     <Real Name="Cell 1 5 1">0.83379370392735974</Real>
90     <Real Name="Cell 1 5 2">0.038580292674414464</Real>
91     <Real Name="Cell 1 6 0">0.12655646142754229</Real>
92     <Real Name="Cell 1 6 1">0.31195301323284946</Real>
93     <Real Name="Cell 1 6 2">0.014434312102022459</Real>
94     <Real Name="Cell 15 4 0">9.3749557408290193e-05</Real>
95     <Real Name="Cell 15 4 1">0.00023108624081992141</Real>
96     <Real Name="Cell 15 4 2">1.0692542725939677e-05</Real>
97     <Real Name="Cell 15 5 0">0.001719253341190267</Real>
98     <Real Name="Cell 15 5 1">0.004237841784174824</Real>
99     <Real Name="Cell 15 5 2">0.00019608828367402901</Real>
100     <Real Name="Cell 15 6 0">0.00064323615993827751</Real>
101     <Real Name="Cell 15 6 1">0.0015855330976360846</Real>
102     <Real Name="Cell 15 6 2">7.3363867661322939e-05</Real>
103     <Real Name="Cell 4 2 0">0.0010297885376019896</Real>
104     <Real Name="Cell 4 2 1">0.0025383582448021734</Real>
105     <Real Name="Cell 4 2 2">0.00011745183914882688</Real>
106     <Real Name="Cell 4 3 0">0.086361062505128913</Real>
107     <Real Name="Cell 4 3 1">0.21287410670761991</Real>
108     <Real Name="Cell 4 3 2">0.0098498529083400309</Real>
109     <Real Name="Cell 4 4 0">0.055178953086848032</Real>
110     <Real Name="Cell 4 4 1">0.1360123417509696</Real>
111     <Real Name="Cell 4 4 2">0.0062933983878367631</Real>
112     <Real Name="Cell 5 2 0">0.0046741158716962243</Real>
113     <Real Name="Cell 5 2 1">0.011521375628931728</Real>
114     <Real Name="Cell 5 2 2">0.00053310314251878404</Real>
115     <Real Name="Cell 5 3 0">0.39198495439826581</Real>
116     <Real Name="Cell 5 3 1">0.96621607689695022</Real>
117     <Real Name="Cell 5 3 2">0.044707580373689722</Real>
118     <Real Name="Cell 5 4 0">0.25045221517750116</Real>
119     <Real Name="Cell 5 4 1">0.61734756419525116</Real>
120     <Real Name="Cell 5 4 2">0.028565158979138368</Real>
121     <Real Name="Cell 6 2 0">0.00057264412677849458</Real>
122     <Real Name="Cell 6 2 1">0.0014115285687007091</Real>
123     <Real Name="Cell 6 2 2">6.5312540790683421e-05</Real>
124     <Real Name="Cell 6 3 0">0.048023602341771679</Real>
125     <Real Name="Cell 6 3 1">0.11837489202705763</Real>
126     <Real Name="Cell 6 3 2">0.0054772996704038042</Real>
127     <Real Name="Cell 6 4 0">0.030683875624164414</Real>
128     <Real Name="Cell 6 4 1">0.075633652763753279</Real>
129     <Real Name="Cell 6 4 2">0.0034996288001652408</Real>
130   </NonZeroGridValues>
131 </ReferenceData>