Reduce hwloc & cpuid test requirements
[gromacs.git] / src / programs / mdrun / tests / butane_d0.xvg
blobd814eccc5b6c16d18eab2c19fc33193acbc9a434
1 # Table was made with:
3 # seq -180 1 180 | awk '{print $1" "$1*3.14159265358979323846/180}' | awk '{printf "%20g %20g %20g\n", $1,
4 #     9.2789 -12.156*cos($2) -13.12  *cos($2)^2       +3.0597          *cos($2)^3 +26.24          *cos($2)^4 +31.495          *cos($2)^5,
5 # -1*(0.0    +12.156*sin($2) +13.12*2*sin($2)*cos($2) -3.0597*3*sin($2)*cos($2)^2 -26.24*4*sin($2)*cos($2)^3 -31.495*5*sin($2)*cos($2)^4)*3.14159265358979323846/180}'
6                 -180               0.0002         -3.50958e-06
7                 -179            0.0117364           -0.0230646
8                 -178            0.0462849           -0.0460188
9                 -177             0.103725           -0.0687729
10                 -176             0.183725           -0.0911958
11                 -175             0.285942            -0.113198
12                 -174             0.409982            -0.134691
13                 -173             0.555133            -0.155555
14                 -172             0.720796            -0.175708
15                 -171             0.906328            -0.195073
16                 -170              1.11068            -0.213546
17                 -169              1.33302             -0.23106
18                 -168              1.57251            -0.247553
19                 -167               1.8278            -0.262942
20                 -166              2.09791            -0.277178
21                 -165              2.38182            -0.290217
22                 -164              2.67798            -0.302002
23                 -163              2.98528            -0.312505
24                 -162              3.30261            -0.321703
25                 -161               3.6283            -0.329565
26                 -160              3.96117            -0.336087
27                 -159              4.30009            -0.341266
28                 -158              4.64332              -0.3451
29                 -157              4.98972            -0.347605
30                 -156              5.33816            -0.348799
31                 -155              5.68696            -0.348709
32                 -154              6.03503            -0.347368
33                 -153              6.38136            -0.344815
34                 -152              6.72434            -0.341099
35                 -151              7.06305            -0.336269
36                 -150              7.39659            -0.330381
37                 -149              7.72355            -0.323501
38                 -148              8.04316            -0.315694
39                 -147              8.35471            -0.307022
40                 -146              8.65701             -0.29757
41                 -145               8.9495            -0.287406
42                 -144              9.23166              -0.2766
43                 -143              9.50258            -0.265244
44                 -142              9.76189            -0.253409
45                 -141              10.0093            -0.241165
46                 -140              10.2442            -0.228604
47                 -139              10.4663            -0.215795
48                 -138              10.6757            -0.202803
49                 -137               10.872            -0.189716
50                 -136              11.0551            -0.176593
51                 -135              11.2252            -0.163492
52                 -134              11.3821            -0.150489
53                 -133              11.5262            -0.137633
54                 -132              11.6575            -0.124966
55                 -131              11.7762            -0.112551
56                 -130              11.8826            -0.100421
57                 -129              11.9772            -0.088605
58                 -128                12.06           -0.0771457
59                 -127              12.1315           -0.0660604
60                 -126              12.1922           -0.0553611
61                 -125              12.2424           -0.0450721
62                 -124              12.2825           -0.0351936
63                 -123              12.3129           -0.0257211
64                 -122              12.3341           -0.0166606
65                 -121              12.3464           -0.0079967
66                 -120              12.3502          0.000285479
67                 -119              12.3459            0.0082098
68                 -118              12.3339            0.0157908
69                 -117              12.3145            0.0230605
70                 -116              12.2879            0.0300535
71                 -115              12.2544            0.0367953
72                 -114              12.2144            0.0433255
73                 -113              12.1678            0.0496852
74                 -112               12.115            0.0559055
75                 -111              12.0561            0.0620291
76                 -110               11.991            0.0680983
77                 -109              11.9199            0.0741442
78                 -108              11.8427            0.0802072
79                 -107              11.7594            0.0863256
80                 -106                11.67            0.0925247
81                 -105              11.5744            0.0988373
82                 -104              11.4723             0.105293
83                 -103              11.3637             0.111905
84                 -102              11.2485             0.118694
85                 -101              11.1262             0.125676
86                 -100               10.997             0.132848
87                  -99              10.8605             0.140216
88                  -98              10.7165             0.147777
89                  -97              10.5649             0.155511
90                  -96              10.4055             0.163403
91                  -95               10.238             0.171431
92                  -94              10.0626             0.179554
93                  -93              9.87895             0.187737
94                  -92              9.68703              0.19594
95                  -91              9.48705             0.204099
96                  -90              9.27894             0.212161
97                  -89              9.06273             0.220064
98                  -88              8.83886             0.227729
99                  -87              8.60746             0.235085
100                  -86              8.36877             0.242053
101                  -85              8.12347              0.24854
102                  -84              7.87197              0.25446
103                  -83              7.61472             0.259724
104                  -82              7.35273             0.264231
105                  -81              7.08664             0.267886
106                  -80              6.81722             0.270593
107                  -79              6.54575              0.27225
108                  -78               6.2732             0.272762
109                  -77              6.00059             0.272031
110                  -76              5.72953             0.269964
111                  -75              5.46124              0.26647
112                  -74              5.19705             0.261459
113                  -73               4.9388             0.254855
114                  -72              4.68799             0.246579
115                  -71              4.44618             0.236556
116                  -70              4.21543             0.224734
117                  -69              3.99742             0.211054
118                  -68              3.79392             0.195462
119                  -67              3.60709              0.17794
120                  -66              3.43876             0.158455
121                  -65              3.29082             0.136979
122                  -64              3.16543             0.113534
123                  -63              3.06446            0.0881168
124                  -62              2.98984            0.0607332
125                  -61               2.9436            0.0314479
126                  -60              2.92758          0.000292252
127                  -59              2.94364           -0.0326936
128                  -58              2.99354           -0.0673993
129                  -57              3.07898            -0.103762
130                  -56              3.20158            -0.141684
131                  -55              3.36283            -0.181048
132                  -54              3.56411            -0.221732
133                  -53              3.80668            -0.263602
134                  -52              4.09167            -0.306512
135                  -51                 4.42              -0.3503
136                  -50              4.79249            -0.394799
137                  -49              5.20979            -0.439836
138                  -48              5.67229            -0.485217
139                  -47              6.18026            -0.530751
140                  -46              6.73379             -0.57624
141                  -45              7.33267            -0.621471
142                  -44              7.97655            -0.666233
143                  -43              8.66488            -0.710312
144                  -42               9.3969            -0.753491
145                  -41              10.1715            -0.795545
146                  -40              10.9875            -0.836257
147                  -39              11.8435             -0.87541
148                  -38              12.7378            -0.912784
149                  -37              13.6684            -0.948167
150                  -36              14.6333            -0.981352
151                  -35              15.6303             -1.01214
152                  -34              16.6568             -1.04033
153                  -33                17.71             -1.06575
154                  -32              18.7873             -1.08821
155                  -31              19.8854             -1.10755
156                  -30              21.0013             -1.12362
157                  -29              22.1315             -1.13628
158                  -28              23.2727              -1.1454
159                  -27              24.4211             -1.15088
160                  -26              25.5732             -1.15263
161                  -25              26.7251             -1.15055
162                  -24               27.873             -1.14461
163                  -23               29.013             -1.13474
164                  -22              30.1412             -1.12093
165                  -21              31.2536             -1.10317
166                  -20              32.3462             -1.08149
167                  -19              33.4152             -1.05589
168                  -18              34.4567             -1.02645
169                  -17              35.4669            -0.993229
170                  -16              36.4419            -0.956317
171                  -15              37.3783            -0.915818
172                  -14              38.2724            -0.871864
173                  -13              39.1209            -0.824594
174                  -12              39.9205            -0.774168
175                  -11              40.6683            -0.720759
176                  -10              41.3611            -0.664564
177                   -9              41.9965            -0.605784
178                   -8              42.5719            -0.544635
179                   -7              43.0851            -0.481355
180                   -6               43.534            -0.416182
181                   -5              43.9169            -0.349366
182                   -4              44.2323            -0.281169
183                   -3              44.4789            -0.211859
184                   -2              44.6557            -0.141708
185                   -1              44.7621           -0.0709953
186                    0              44.7976                   -0
187                    1              44.7621            0.0709953
188                    2              44.6557             0.141708
189                    3              44.4789             0.211859
190                    4              44.2323             0.281169
191                    5              43.9169             0.349366
192                    6               43.534             0.416182
193                    7              43.0851             0.481355
194                    8              42.5719             0.544635
195                    9              41.9965             0.605784
196                   10              41.3611             0.664564
197                   11              40.6683             0.720759
198                   12              39.9205             0.774168
199                   13              39.1209             0.824594
200                   14              38.2724             0.871864
201                   15              37.3783             0.915818
202                   16              36.4419             0.956317
203                   17              35.4669             0.993229
204                   18              34.4567              1.02645
205                   19              33.4152              1.05589
206                   20              32.3462              1.08149
207                   21              31.2536              1.10317
208                   22              30.1412              1.12093
209                   23               29.013              1.13474
210                   24               27.873              1.14461
211                   25              26.7251              1.15055
212                   26              25.5732              1.15263
213                   27              24.4211              1.15088
214                   28              23.2727               1.1454
215                   29              22.1315              1.13628
216                   30              21.0013              1.12362
217                   31              19.8854              1.10755
218                   32              18.7873              1.08821
219                   33                17.71              1.06575
220                   34              16.6568              1.04033
221                   35              15.6303              1.01214
222                   36              14.6333             0.981352
223                   37              13.6684             0.948167
224                   38              12.7378             0.912784
225                   39              11.8435              0.87541
226                   40              10.9875             0.836257
227                   41              10.1715             0.795545
228                   42               9.3969             0.753491
229                   43              8.66488             0.710312
230                   44              7.97655             0.666233
231                   45              7.33267             0.621471
232                   46              6.73379              0.57624
233                   47              6.18026             0.530751
234                   48              5.67229             0.485217
235                   49              5.20979             0.439836
236                   50              4.79249             0.394799
237                   51                 4.42               0.3503
238                   52              4.09167             0.306512
239                   53              3.80668             0.263602
240                   54              3.56411             0.221732
241                   55              3.36283             0.181048
242                   56              3.20158             0.141684
243                   57              3.07898             0.103762
244                   58              2.99354            0.0673993
245                   59              2.94364            0.0326936
246                   60              2.92758         -0.000292252
247                   61               2.9436           -0.0314479
248                   62              2.98984           -0.0607332
249                   63              3.06446           -0.0881168
250                   64              3.16543            -0.113534
251                   65              3.29082            -0.136979
252                   66              3.43876            -0.158455
253                   67              3.60709             -0.17794
254                   68              3.79392            -0.195462
255                   69              3.99742            -0.211054
256                   70              4.21543            -0.224734
257                   71              4.44618            -0.236556
258                   72              4.68799            -0.246579
259                   73               4.9388            -0.254855
260                   74              5.19705            -0.261459
261                   75              5.46124             -0.26647
262                   76              5.72953            -0.269964
263                   77              6.00059            -0.272031
264                   78               6.2732            -0.272762
265                   79              6.54575             -0.27225
266                   80              6.81722            -0.270593
267                   81              7.08664            -0.267886
268                   82              7.35273            -0.264231
269                   83              7.61472            -0.259724
270                   84              7.87197             -0.25446
271                   85              8.12347             -0.24854
272                   86              8.36877            -0.242053
273                   87              8.60746            -0.235085
274                   88              8.83886            -0.227729
275                   89              9.06273            -0.220064
276                   90              9.27894            -0.212161
277                   91              9.48705            -0.204099
278                   92              9.68703             -0.19594
279                   93              9.87895            -0.187737
280                   94              10.0626            -0.179554
281                   95               10.238            -0.171431
282                   96              10.4055            -0.163403
283                   97              10.5649            -0.155511
284                   98              10.7165            -0.147777
285                   99              10.8605            -0.140216
286                  100               10.997            -0.132848
287                  101              11.1262            -0.125676
288                  102              11.2485            -0.118694
289                  103              11.3637            -0.111905
290                  104              11.4723            -0.105293
291                  105              11.5744           -0.0988373
292                  106                11.67           -0.0925247
293                  107              11.7594           -0.0863256
294                  108              11.8427           -0.0802072
295                  109              11.9199           -0.0741442
296                  110               11.991           -0.0680983
297                  111              12.0561           -0.0620291
298                  112               12.115           -0.0559055
299                  113              12.1678           -0.0496852
300                  114              12.2144           -0.0433255
301                  115              12.2544           -0.0367953
302                  116              12.2879           -0.0300535
303                  117              12.3145           -0.0230605
304                  118              12.3339           -0.0157908
305                  119              12.3459           -0.0082098
306                  120              12.3502         -0.000285479
307                  121              12.3464            0.0079967
308                  122              12.3341            0.0166606
309                  123              12.3129            0.0257211
310                  124              12.2825            0.0351936
311                  125              12.2424            0.0450721
312                  126              12.1922            0.0553611
313                  127              12.1315            0.0660604
314                  128                12.06            0.0771457
315                  129              11.9772             0.088605
316                  130              11.8826             0.100421
317                  131              11.7762             0.112551
318                  132              11.6575             0.124966
319                  133              11.5262             0.137633
320                  134              11.3821             0.150489
321                  135              11.2252             0.163492
322                  136              11.0551             0.176593
323                  137               10.872             0.189716
324                  138              10.6757             0.202803
325                  139              10.4663             0.215795
326                  140              10.2442             0.228604
327                  141              10.0093             0.241165
328                  142              9.76189             0.253409
329                  143              9.50258             0.265244
330                  144              9.23166               0.2766
331                  145               8.9495             0.287406
332                  146              8.65701              0.29757
333                  147              8.35471             0.307022
334                  148              8.04316             0.315694
335                  149              7.72355             0.323501
336                  150              7.39659             0.330381
337                  151              7.06305             0.336269
338                  152              6.72434             0.341099
339                  153              6.38136             0.344815
340                  154              6.03503             0.347368
341                  155              5.68696             0.348709
342                  156              5.33816             0.348799
343                  157              4.98972             0.347605
344                  158              4.64332               0.3451
345                  159              4.30009             0.341266
346                  160              3.96117             0.336087
347                  161               3.6283             0.329565
348                  162              3.30261             0.321703
349                  163              2.98528             0.312505
350                  164              2.67798             0.302002
351                  165              2.38182             0.290217
352                  166              2.09791             0.277178
353                  167               1.8278             0.262942
354                  168              1.57251             0.247553
355                  169              1.33302              0.23106
356                  170              1.11068             0.213546
357                  171             0.906328             0.195073
358                  172             0.720796             0.175708
359                  173             0.555133             0.155555
360                  174             0.409982             0.134691
361                  175             0.285942             0.113198
362                  176             0.183725            0.0911958
363                  177             0.103725            0.0687729
364                  178            0.0462849            0.0460188
365                  179            0.0117364            0.0230646
366                  180               0.0002          3.50958e-06