--- /dev/null
+Nose-Hoover bath calculation
+Mol.Phys. 87 1117 (1996) Martyna et al.
+NVT-XI-RESPA algorithm
+ Temperature: 300.00000
+ Q = 1.00000
+ H0= 108.655845576103
+ acceleration/energy drift too large 11.9998781052206
+ 13.1003840709383 split increased to 2 itime 117525
+ itsplit 1
+ acceleration/energy drift too large 6.10895221664829
+ 10.5080994878034 split increased to 2 itime 251171
+ itsplit 1
+ acceleration/energy drift too large 9.96713611357368
+ 10.7278444342403 split increased to 2 itime 711463
+ itsplit 1
+ acceleration/energy drift too large 10.0064806658085
+ 11.9705403764126 split increased to 2 itime 750484
+ itsplit 1
+ acceleration/energy drift too large 8.99709664674769
+ 10.3503067228688 split increased to 2 itime 618354
+ itsplit 1
+ acceleration/energy drift too large 7.05192302535523
+ 17.0561003784193 split increased to 2 itime 784902
+ itsplit 1
+ acceleration/energy drift too large 11.3825577834735
+ 12.7932769560824 split increased to 2 itime 827332
+ itsplit 1
+ acceleration/energy drift too large 9.24417443593958
+ 10.5373530223862 split increased to 2 itime 908347
+ itsplit 1
+ acceleration/energy drift too large 10.4927287801629
+ 12.9024044257076 split increased to 2 itime 934310
+ itsplit 1
+ acceleration/energy drift too large 8.47590525765201
+ 10.5662516433962 split increased to 2 itime 997780
+ itsplit 1
+ acceleration/energy drift too large 13.3340168780839
+ 13.7718168858320 split increased to 2 itime 865544
+ itsplit 1
+ acceleration/energy drift too large 5.91236217223106
+ 11.2871075189086 split increased to 2 itime 919942
+ itsplit 1
+ acceleration/energy drift too large 10.2604515836813
+ 9.83338952676769 split increased to 2 itime 673281
+ itsplit 1
+ acceleration/energy drift too large 11.2951415497763
+ 8.58440667639174 split increased to 2 itime 686349
+ itsplit 1
+ acceleration/energy drift too large 10.9403819228949
+ 17.6211071911718 split increased to 2 itime 700054
+ itsplit 1
+ acceleration/energy drift too large 5.56969022277486
+ 12.1324622199339 split increased to 2 itime 765558
+ itsplit 1
+ acceleration/energy drift too large 12.0489275960967
+ 19.1443168681847 split increased to 2 itime 774614
+ itsplit 1
+ acceleration/energy drift too large 10.1416363159730
+ 11.3971781731848 split increased to 2 itime 788425
+ itsplit 1
+ acceleration/energy drift too large 12.2328153425136
+ 14.7678598199712 split increased to 2 itime 854471
+ itsplit 1
+ acceleration/energy drift too large 12.6388501075801
+ 55.2487689559854 split increased to 2 itime 720189
+ itsplit 1
+ acceleration/energy drift too large 14.2000569855572
+ 22.6210807474007 split increased to 2 itime 734764
+ itsplit 1
+ acceleration/energy drift too large 9.84699537562064
+ 24.6138801627725 split increased to 2 itime 740862
+ itsplit 1
+ acceleration/energy drift too large 7.68062983718713
+ 10.3543239948451 split increased to 2 itime 751380
+ itsplit 1
+ acceleration/energy drift too large 12.1139480684704
+ 16.0739000433504 split increased to 2 itime 759538
+ itsplit 1
+ acceleration/energy drift too large 10.5477410784867
+ 11.9971543050139 split increased to 2 itime 777393
+ itsplit 1
+ acceleration/energy drift too large 27.2384959154701
+ 51.4561892107674 split increased to 2 itime 785147
+ itsplit 1
+ acceleration/energy drift too large 6.61918996909648
+ 10.4092834345698 split increased to 2 itime 785672
+ itsplit 1
+ acceleration/energy drift too large 10.6753281890232
+ 13.9576826962118 split increased to 2 itime 822262
+ itsplit 1
+ acceleration/energy drift too large 12.0642948357035
+ 22.1133729111769 split increased to 2 itime 852877
+ itsplit 1
+ acceleration/energy drift too large 11.5033475417987
+ 12.4317510802736 split increased to 2 itime 856043
+ itsplit 1
+ acceleration/energy drift too large 11.0353809042148
+ 11.9488021003724 split increased to 2 itime 860903
+ itsplit 1
+ acceleration/energy drift too large 11.0071558909439
+ 11.3212852859065 split increased to 2 itime 896265
+ itsplit 1
+ acceleration/energy drift too large 9.48098880647470
+ 11.1328804706735 split increased to 2 itime 962554
+ itsplit 1
+ acceleration/energy drift too large 20.8835403293376
+ 40.5128468563947 split increased to 2 itime 873421
+ itsplit 1
+ acceleration/energy drift too large 8.51173776450411
+ 10.1410776353290 split increased to 2 itime 892042
+ itsplit 1
+ acceleration/energy drift too large 10.1278894087521
+ 9.93175597734157 split increased to 2 itime 907490
+ itsplit 1
+ acceleration/energy drift too large 7.00737144646961
+ 13.9215477299559 split increased to 2 itime 921397
+ itsplit 1
+ acceleration/energy drift too large 14.6085004363814
+ 21.3133353698604 split increased to 2 itime 923315
+ itsplit 1
+ acceleration/energy drift too large 13.6475120748507
+ 15.6873145569907 split increased to 2 itime 940994
+ itsplit 1
+ acceleration/energy drift too large 8.40951511955094
+ 20.3671104384497 split increased to 2 itime 943080
+ itsplit 1
+ acceleration/energy drift too large 16.1150972151442
+ 25.6358390066988 split increased to 2 itime 954819
+ itsplit 1
+ acceleration/energy drift too large 8.86159171398580
+ 24.0389934891672 split increased to 2 itime 975779
+ itsplit 1
+ acceleration/energy drift too large 6.25012078065036
+ 11.4821146337285 split increased to 2 itime 997501
+ itsplit 1
+ acceleration/energy drift too large 8.02975373804776
+ 13.9058128247899 split increased to 2 itime 954134
+ itsplit 1
+ acceleration/energy drift too large 11.6823427692266
+ 15.0021476676271 split increased to 2 itime 997822
+ itsplit 1
+ acceleration/energy drift too large 5.99463606249681
+ 13.3435014341549 split increased to 2 itime 941262
+ itsplit 1
+ acceleration/energy drift too large 10.9234327457148
+ 9.18498209345477 split increased to 2 itime 933900
+ itsplit 1
+ acceleration/energy drift too large 10.7014989944187
+ 12.5835139063996 split increased to 2 itime 937608
+ itsplit 1
+ acceleration/energy drift too large 10.7454416256838
+ 14.8313435513320 split increased to 2 itime 946869
+ itsplit 1
+ acceleration/energy drift too large 22.1822170725631
+ 137.330940374216 split increased to 2 itime 964575
+ itsplit 1
+ acceleration/energy drift too large 4.37861831416973
+ 21.3433996240882 split increased to 4 itime 964575
+ itsplit 2
+ acceleration/energy drift too large 18.1913679923198
+ 24.9200224326050 split increased to 2 itime 978623
+ itsplit 1
+ acceleration/energy drift too large 16.0541253269189
+ 29.5111750547580 split increased to 2 itime 980907
+ itsplit 1
+ acceleration/energy drift too large 9.30371895806360
+ 11.0365005283431 split increased to 2 itime 747826
+ itsplit 1
+ acceleration/energy drift too large 15.3779228047827
+ 20.4096823009969 split increased to 2 itime 757063
+ itsplit 1
+ acceleration/energy drift too large 10.8781774579559
+ 10.8976679352535 split increased to 2 itime 765812
+ itsplit 1
+ acceleration/energy drift too large 11.6992456838481
+ 13.9620481296731 split increased to 2 itime 769746
+ itsplit 1
+ acceleration/energy drift too large 9.01720674822129
+ 11.5100138973033 split increased to 2 itime 799786
+ itsplit 1
+ acceleration/energy drift too large 7.04772523200129
+ 11.8175549847546 split increased to 2 itime 802762
+ itsplit 1
+ acceleration/energy drift too large 8.45804506998435
+ 10.4803799266503 split increased to 2 itime 811325
+ itsplit 1
+ acceleration/energy drift too large 9.25063636378668
+ 11.2204076975425 split increased to 2 itime 836780
+ itsplit 1
+ acceleration/energy drift too large 11.2975589401226
+ 15.5511693433148 split increased to 2 itime 837216
+ itsplit 1
+ acceleration/energy drift too large 16.2496316757962
+ 103.781206574212 split increased to 2 itime 852236
+ itsplit 1
+ acceleration/energy drift too large 11.5766560437504
+ 39.7920334155238 split increased to 2 itime 852432
+ itsplit 1
+ acceleration/energy drift too large 9.37271717298446
+ 26.1698571413672 split increased to 2 itime 855509
+ itsplit 1
+ acceleration/energy drift too large 15.6376649134830
+ 20.2114742212021 split increased to 2 itime 904014
+ itsplit 1
+ acceleration/energy drift too large 5.26082427010231
+ 10.3239542053421 split increased to 2 itime 909995
+ itsplit 1
+ acceleration/energy drift too large 14.1255514203856
+ 19.1011649091343 split increased to 2 itime 910525
+ itsplit 1
+ acceleration/energy drift too large 18.8024013139991
+ 31.5637239988613 split increased to 2 itime 943634
+ itsplit 1
+ acceleration/energy drift too large 10.7270160917479
+ 14.0546433843316 split increased to 2 itime 957385
+ itsplit 1
+ acceleration/energy drift too large 10.0311518899159
+ 9.66123807618685 split increased to 2 itime 971430
+ itsplit 1
+ acceleration/energy drift too large 10.0967983833338
+ 8.42463331152800 split increased to 2 itime 902120
+ itsplit 1
+ acceleration/energy drift too large 11.2561924949802
+ 19.4874053747430 split increased to 2 itime 947947
+ itsplit 1
+ acceleration/energy drift too large 12.2423400800582
+ 13.1872251117196 split increased to 2 itime 952750
+ itsplit 1
+ acceleration/energy drift too large 13.0715562116816
+ 15.7098617137039 split increased to 2 itime 959635
+ itsplit 1
+ acceleration/energy drift too large 10.0483757105287
+ 12.6343801225713 split increased to 2 itime 963376
+ itsplit 1
+ acceleration/energy drift too large 9.32712471237710
+ 12.5510335021778 split increased to 2 itime 974459
+ itsplit 1
+ acceleration/energy drift too large 10.1977792792089
+ 11.5305947697030 split increased to 2 itime 976739
+ itsplit 1
+ acceleration/energy drift too large 10.2529474651543
+ 15.1228880212918 split increased to 2 itime 985506
+ itsplit 1
+ acceleration/energy drift too large 11.9583881234370
+ 13.8775479423186 split increased to 2 itime 986691
+ itsplit 1
+ acceleration/energy drift too large 10.5750450935503
+ 32.9698253387146 split increased to 2 itime 988482
+ itsplit 1
+ acceleration/energy drift too large 9.43331950844432
+ 10.7495477232566 split increased to 2 itime 900692
+ itsplit 1
+ acceleration/energy drift too large 12.9958201868411
+ 22.3242479343416 split increased to 2 itime 905303
+ itsplit 1
+ acceleration/energy drift too large 9.37372029690420
+ 10.3813330707683 split increased to 2 itime 916406
+ itsplit 1
+ acceleration/energy drift too large 9.47872443172013
+ 18.1985087779943 split increased to 2 itime 927023
+ itsplit 1
+ acceleration/energy drift too large 11.1136048227353
+ 18.3627371760905 split increased to 2 itime 947128
+ itsplit 1
+ acceleration/energy drift too large 7.27218003503828
+ 16.7281461930931 split increased to 2 itime 957198
+ itsplit 1
+ acceleration/energy drift too large 6.18125683111113
+ 13.9169857915671 split increased to 2 itime 958328
+ itsplit 1
+ acceleration/energy drift too large 17.3265818419586
+ 23.9630744625035 split increased to 2 itime 974580
+ itsplit 1
+ acceleration/energy drift too large 6.64625816624767
+ 10.3515059308238 split increased to 2 itime 992614
+ itsplit 1
projects / unres.git / blobdiff