1 Nose-Hoover bath calculation
2 Mol.Phys. 87 1117 (1996) Martyna et al.
7 acceleration/energy drift too large 11.9998781052206
8 13.1003840709383 split increased to 2 itime 117525
10 acceleration/energy drift too large 6.10895221664829
11 10.5080994878034 split increased to 2 itime 251171
13 acceleration/energy drift too large 9.96713611357368
14 10.7278444342403 split increased to 2 itime 711463
16 acceleration/energy drift too large 10.0064806658085
17 11.9705403764126 split increased to 2 itime 750484
19 acceleration/energy drift too large 8.99709664674769
20 10.3503067228688 split increased to 2 itime 618354
22 acceleration/energy drift too large 7.05192302535523
23 17.0561003784193 split increased to 2 itime 784902
25 acceleration/energy drift too large 11.3825577834735
26 12.7932769560824 split increased to 2 itime 827332
28 acceleration/energy drift too large 9.24417443593958
29 10.5373530223862 split increased to 2 itime 908347
31 acceleration/energy drift too large 10.4927287801629
32 12.9024044257076 split increased to 2 itime 934310
34 acceleration/energy drift too large 8.47590525765201
35 10.5662516433962 split increased to 2 itime 997780
37 acceleration/energy drift too large 13.3340168780839
38 13.7718168858320 split increased to 2 itime 865544
40 acceleration/energy drift too large 5.91236217223106
41 11.2871075189086 split increased to 2 itime 919942
43 acceleration/energy drift too large 10.2604515836813
44 9.83338952676769 split increased to 2 itime 673281
46 acceleration/energy drift too large 11.2951415497763
47 8.58440667639174 split increased to 2 itime 686349
49 acceleration/energy drift too large 10.9403819228949
50 17.6211071911718 split increased to 2 itime 700054
52 acceleration/energy drift too large 5.56969022277486
53 12.1324622199339 split increased to 2 itime 765558
55 acceleration/energy drift too large 12.0489275960967
56 19.1443168681847 split increased to 2 itime 774614
58 acceleration/energy drift too large 10.1416363159730
59 11.3971781731848 split increased to 2 itime 788425
61 acceleration/energy drift too large 12.2328153425136
62 14.7678598199712 split increased to 2 itime 854471
64 acceleration/energy drift too large 12.6388501075801
65 55.2487689559854 split increased to 2 itime 720189
67 acceleration/energy drift too large 14.2000569855572
68 22.6210807474007 split increased to 2 itime 734764
70 acceleration/energy drift too large 9.84699537562064
71 24.6138801627725 split increased to 2 itime 740862
73 acceleration/energy drift too large 7.68062983718713
74 10.3543239948451 split increased to 2 itime 751380
76 acceleration/energy drift too large 12.1139480684704
77 16.0739000433504 split increased to 2 itime 759538
79 acceleration/energy drift too large 10.5477410784867
80 11.9971543050139 split increased to 2 itime 777393
82 acceleration/energy drift too large 27.2384959154701
83 51.4561892107674 split increased to 2 itime 785147
85 acceleration/energy drift too large 6.61918996909648
86 10.4092834345698 split increased to 2 itime 785672
88 acceleration/energy drift too large 10.6753281890232
89 13.9576826962118 split increased to 2 itime 822262
91 acceleration/energy drift too large 12.0642948357035
92 22.1133729111769 split increased to 2 itime 852877
94 acceleration/energy drift too large 11.5033475417987
95 12.4317510802736 split increased to 2 itime 856043
97 acceleration/energy drift too large 11.0353809042148
98 11.9488021003724 split increased to 2 itime 860903
100 acceleration/energy drift too large 11.0071558909439
101 11.3212852859065 split increased to 2 itime 896265
103 acceleration/energy drift too large 9.48098880647470
104 11.1328804706735 split increased to 2 itime 962554
106 acceleration/energy drift too large 20.8835403293376
107 40.5128468563947 split increased to 2 itime 873421
109 acceleration/energy drift too large 8.51173776450411
110 10.1410776353290 split increased to 2 itime 892042
112 acceleration/energy drift too large 10.1278894087521
113 9.93175597734157 split increased to 2 itime 907490
115 acceleration/energy drift too large 7.00737144646961
116 13.9215477299559 split increased to 2 itime 921397
118 acceleration/energy drift too large 14.6085004363814
119 21.3133353698604 split increased to 2 itime 923315
121 acceleration/energy drift too large 13.6475120748507
122 15.6873145569907 split increased to 2 itime 940994
124 acceleration/energy drift too large 8.40951511955094
125 20.3671104384497 split increased to 2 itime 943080
127 acceleration/energy drift too large 16.1150972151442
128 25.6358390066988 split increased to 2 itime 954819
130 acceleration/energy drift too large 8.86159171398580
131 24.0389934891672 split increased to 2 itime 975779
133 acceleration/energy drift too large 6.25012078065036
134 11.4821146337285 split increased to 2 itime 997501
136 acceleration/energy drift too large 8.02975373804776
137 13.9058128247899 split increased to 2 itime 954134
139 acceleration/energy drift too large 11.6823427692266
140 15.0021476676271 split increased to 2 itime 997822
142 acceleration/energy drift too large 5.99463606249681
143 13.3435014341549 split increased to 2 itime 941262
145 acceleration/energy drift too large 10.9234327457148
146 9.18498209345477 split increased to 2 itime 933900
148 acceleration/energy drift too large 10.7014989944187
149 12.5835139063996 split increased to 2 itime 937608
151 acceleration/energy drift too large 10.7454416256838
152 14.8313435513320 split increased to 2 itime 946869
154 acceleration/energy drift too large 22.1822170725631
155 137.330940374216 split increased to 2 itime 964575
157 acceleration/energy drift too large 4.37861831416973
158 21.3433996240882 split increased to 4 itime 964575
160 acceleration/energy drift too large 18.1913679923198
161 24.9200224326050 split increased to 2 itime 978623
163 acceleration/energy drift too large 16.0541253269189
164 29.5111750547580 split increased to 2 itime 980907
166 acceleration/energy drift too large 9.30371895806360
167 11.0365005283431 split increased to 2 itime 747826
169 acceleration/energy drift too large 15.3779228047827
170 20.4096823009969 split increased to 2 itime 757063
172 acceleration/energy drift too large 10.8781774579559
173 10.8976679352535 split increased to 2 itime 765812
175 acceleration/energy drift too large 11.6992456838481
176 13.9620481296731 split increased to 2 itime 769746
178 acceleration/energy drift too large 9.01720674822129
179 11.5100138973033 split increased to 2 itime 799786
181 acceleration/energy drift too large 7.04772523200129
182 11.8175549847546 split increased to 2 itime 802762
184 acceleration/energy drift too large 8.45804506998435
185 10.4803799266503 split increased to 2 itime 811325
187 acceleration/energy drift too large 9.25063636378668
188 11.2204076975425 split increased to 2 itime 836780
190 acceleration/energy drift too large 11.2975589401226
191 15.5511693433148 split increased to 2 itime 837216
193 acceleration/energy drift too large 16.2496316757962
194 103.781206574212 split increased to 2 itime 852236
196 acceleration/energy drift too large 11.5766560437504
197 39.7920334155238 split increased to 2 itime 852432
199 acceleration/energy drift too large 9.37271717298446
200 26.1698571413672 split increased to 2 itime 855509
202 acceleration/energy drift too large 15.6376649134830
203 20.2114742212021 split increased to 2 itime 904014
205 acceleration/energy drift too large 5.26082427010231
206 10.3239542053421 split increased to 2 itime 909995
208 acceleration/energy drift too large 14.1255514203856
209 19.1011649091343 split increased to 2 itime 910525
211 acceleration/energy drift too large 18.8024013139991
212 31.5637239988613 split increased to 2 itime 943634
214 acceleration/energy drift too large 10.7270160917479
215 14.0546433843316 split increased to 2 itime 957385
217 acceleration/energy drift too large 10.0311518899159
218 9.66123807618685 split increased to 2 itime 971430
220 acceleration/energy drift too large 10.0967983833338
221 8.42463331152800 split increased to 2 itime 902120
223 acceleration/energy drift too large 11.2561924949802
224 19.4874053747430 split increased to 2 itime 947947
226 acceleration/energy drift too large 12.2423400800582
227 13.1872251117196 split increased to 2 itime 952750
229 acceleration/energy drift too large 13.0715562116816
230 15.7098617137039 split increased to 2 itime 959635
232 acceleration/energy drift too large 10.0483757105287
233 12.6343801225713 split increased to 2 itime 963376
235 acceleration/energy drift too large 9.32712471237710
236 12.5510335021778 split increased to 2 itime 974459
238 acceleration/energy drift too large 10.1977792792089
239 11.5305947697030 split increased to 2 itime 976739
241 acceleration/energy drift too large 10.2529474651543
242 15.1228880212918 split increased to 2 itime 985506
244 acceleration/energy drift too large 11.9583881234370
245 13.8775479423186 split increased to 2 itime 986691
247 acceleration/energy drift too large 10.5750450935503
248 32.9698253387146 split increased to 2 itime 988482
250 acceleration/energy drift too large 9.43331950844432
251 10.7495477232566 split increased to 2 itime 900692
253 acceleration/energy drift too large 12.9958201868411
254 22.3242479343416 split increased to 2 itime 905303
256 acceleration/energy drift too large 9.37372029690420
257 10.3813330707683 split increased to 2 itime 916406
259 acceleration/energy drift too large 9.47872443172013
260 18.1985087779943 split increased to 2 itime 927023
262 acceleration/energy drift too large 11.1136048227353
263 18.3627371760905 split increased to 2 itime 947128
265 acceleration/energy drift too large 7.27218003503828
266 16.7281461930931 split increased to 2 itime 957198
268 acceleration/energy drift too large 6.18125683111113
269 13.9169857915671 split increased to 2 itime 958328
271 acceleration/energy drift too large 17.3265818419586
272 23.9630744625035 split increased to 2 itime 974580
274 acceleration/energy drift too large 6.64625816624767
275 10.3515059308238 split increased to 2 itime 992614