1 Nose-Hoover bath calculation
2 Mol.Phys. 87 1117 (1996) Martyna et al.
7 acceleration/energy drift too large 10.4474823952748
8 13.7185899653044 split increased to 2 itime 479029
10 acceleration/energy drift too large 10.0838908445385
11 12.2081129546542 split increased to 2 itime 646904
13 acceleration/energy drift too large 9.80764455252755
14 11.4190657483492 split increased to 2 itime 661628
16 acceleration/energy drift too large 8.38400743034376
17 10.2755232741894 split increased to 2 itime 671315
19 acceleration/energy drift too large 9.07834943093149
20 27.1854416579199 split increased to 2 itime 739404
22 acceleration/energy drift too large 12.3887928192314
23 16.0947169915698 split increased to 2 itime 600324
25 acceleration/energy drift too large 11.3575819375894
26 13.8933334230441 split increased to 2 itime 903223
28 acceleration/energy drift too large 8.99734226275541
29 10.2811543952551 split increased to 2 itime 581229
31 acceleration/energy drift too large 7.19126369265817
32 18.8964081601177 split increased to 2 itime 581846
34 acceleration/energy drift too large 12.1643246330128
35 13.9036523759266 split increased to 2 itime 620500
37 acceleration/energy drift too large 16.6476884800482
38 24.8020219762849 split increased to 2 itime 683729
40 acceleration/energy drift too large 14.0028672783607
41 14.7576429434212 split increased to 2 itime 717208
43 acceleration/energy drift too large 15.6159329535257
44 22.1751951700777 split increased to 2 itime 757550
46 acceleration/energy drift too large 13.2876296609883
47 17.0874378977790 split increased to 2 itime 775852
49 acceleration/energy drift too large 11.6443819324130
50 13.0734801444184 split increased to 2 itime 855501
52 acceleration/energy drift too large 6.43821015262811
53 10.0473948238442 split increased to 2 itime 934300
55 acceleration/energy drift too large 13.2043551429437
56 14.6292523333090 split increased to 2 itime 813883
58 acceleration/energy drift too large 15.9850982990572
59 20.2597118382661 split increased to 2 itime 832329
61 acceleration/energy drift too large 6.14680597161888
62 14.8530808147243 split increased to 2 itime 842717
64 acceleration/energy drift too large 9.33736541306102
65 10.4713605017938 split increased to 2 itime 875236
67 acceleration/energy drift too large 11.0607224694794
68 14.1727702106929 split increased to 2 itime 910181
70 acceleration/energy drift too large 11.6189292087344
71 14.5093689178102 split increased to 2 itime 949710
73 acceleration/energy drift too large 14.0810192159906
74 18.5982686179372 split increased to 2 itime 932087
76 acceleration/energy drift too large 12.3284804673517
77 14.6789520670565 split increased to 2 itime 938515
79 acceleration/energy drift too large 8.61646330143675
80 19.2744211878315 split increased to 2 itime 949780
82 acceleration/energy drift too large 10.8708125328600
83 10.8949927882557 split increased to 2 itime 751320
85 acceleration/energy drift too large 10.5963506583048
86 11.8629454390658 split increased to 2 itime 844776
88 acceleration/energy drift too large 13.3216458457687
89 23.1487810107251 split increased to 2 itime 949649
91 acceleration/energy drift too large 25.8684109125810
92 51.8837106041120 split increased to 2 itime 616909
94 acceleration/energy drift too large 14.1375362351339
95 17.9935298408876 split increased to 2 itime 625870
97 acceleration/energy drift too large 5.70047603606416
98 10.2837618477216 split increased to 2 itime 654698
100 acceleration/energy drift too large 11.7154337294531
101 14.6952436807384 split increased to 2 itime 655197
103 acceleration/energy drift too large 14.1078294084717
104 16.0759860779535 split increased to 2 itime 663062
106 acceleration/energy drift too large 9.44750545589540
107 13.4124482887411 split increased to 2 itime 679707
109 acceleration/energy drift too large 9.77454169928706
110 14.4160430839264 split increased to 2 itime 695040
112 acceleration/energy drift too large 21.1252382570723
113 33.2827275053894 split increased to 2 itime 701263
115 acceleration/energy drift too large 7.34398142700942
116 11.3835828293925 split increased to 2 itime 703957
118 acceleration/energy drift too large 13.7556155356365
119 18.0257138218000 split increased to 2 itime 705077
121 acceleration/energy drift too large 10.5724342406466
122 13.6013865205178 split increased to 2 itime 705528
124 acceleration/energy drift too large 12.5996450434682
125 16.3220512614375 split increased to 2 itime 720220
127 acceleration/energy drift too large 9.51272369450176
128 13.5150720918082 split increased to 2 itime 858152
130 acceleration/energy drift too large 9.72679427808291
131 12.2957157577816 split increased to 2 itime 882947
133 acceleration/energy drift too large 13.5710660568682
134 14.6814545066447 split increased to 2 itime 902305
136 acceleration/energy drift too large 11.3203577801118
137 11.9949138592315 split increased to 2 itime 946838
139 acceleration/energy drift too large 10.1915592779584
140 11.9697890533074 split increased to 2 itime 965203
142 acceleration/energy drift too large 11.4139906777648
143 12.8266257785600 split increased to 2 itime 987887
145 acceleration/energy drift too large 10.1215024687959
146 11.3439420857059 split increased to 2 itime 988588
148 acceleration/energy drift too large 6.40534837074609
149 11.8289285098342 split increased to 2 itime 993303
151 acceleration/energy drift too large 12.5318608340117
152 12.3079794154994 split increased to 2 itime 869354
154 acceleration/energy drift too large 10.7702626974841
155 11.1926240875265 split increased to 2 itime 870042
157 acceleration/energy drift too large 11.8318368899338
158 18.2887856049860 split increased to 2 itime 887090
160 acceleration/energy drift too large 13.5782746275625
161 17.2033022974206 split increased to 2 itime 899570
163 acceleration/energy drift too large 10.5937826281636
164 12.9193561803566 split increased to 2 itime 917632
166 acceleration/energy drift too large 12.7382735474666
167 23.8057416004538 split increased to 2 itime 862606
169 acceleration/energy drift too large 12.8161088239592
170 20.0634873434015 split increased to 2 itime 867987
172 acceleration/energy drift too large 8.91742591449242
173 21.1233184809437 split increased to 2 itime 877127
175 acceleration/energy drift too large 10.5301129572376
176 14.1074316255991 split increased to 2 itime 894790
178 acceleration/energy drift too large 5.48742337786594
179 12.3567344690496 split increased to 2 itime 897432
181 acceleration/energy drift too large 6.83526781112601
182 10.1599149243719 split increased to 2 itime 919726
184 acceleration/energy drift too large 15.4248669302037
185 16.3244929738029 split increased to 2 itime 956811
187 acceleration/energy drift too large 14.5504999773637
188 18.3443024702016 split increased to 2 itime 966303
190 acceleration/energy drift too large 9.73465458464157
191 12.5187844004519 split increased to 2 itime 982327
193 acceleration/energy drift too large 10.3142759067405
194 8.09352318026961 split increased to 2 itime 949011
196 acceleration/energy drift too large 5.92521390460634
197 11.6716885606083 split increased to 2 itime 998072
199 acceleration/energy drift too large 10.6802573090439
200 16.2924264500361 split increased to 2 itime 987735
202 acceleration/energy drift too large 8.17481710226301
203 10.8759308607862 split increased to 2 itime 988606
205 acceleration/energy drift too large 9.82020966622212
206 11.0272620258464 split increased to 2 itime 996063
208 acceleration/energy drift too large 12.4557123052432
209 11.4846735511055 split increased to 2 itime 996926
211 acceleration/energy drift too large 9.77048320605013
212 10.0709590575513 split increased to 2 itime 840270
214 acceleration/energy drift too large 10.5635113176783
215 8.83926622287814 split increased to 2 itime 856824
217 acceleration/energy drift too large 10.1308929674323
218 46.5628712148842 split increased to 2 itime 863772
220 acceleration/energy drift too large 12.7809612412840
221 19.6186368998735 split increased to 2 itime 878322
223 acceleration/energy drift too large 11.0601646360236
224 17.2925713933622 split increased to 2 itime 888840
226 acceleration/energy drift too large 9.93183128963256
227 10.8405930762510 split increased to 2 itime 896508
229 acceleration/energy drift too large 17.9023746026882
230 34.7821519628988 split increased to 2 itime 912284
232 acceleration/energy drift too large 11.8039428143911
233 43.1144312418701 split increased to 2 itime 931323
235 acceleration/energy drift too large 20.0065463758034
236 32.0358774931549 split increased to 2 itime 934018
238 acceleration/energy drift too large 9.43791393567064
239 11.4751227228912 split increased to 2 itime 940234
241 acceleration/energy drift too large 7.15796134750659
242 13.0379454261872 split increased to 2 itime 979385
244 acceleration/energy drift too large 12.8124825327680
245 12.5020146513501 split increased to 2 itime 986130