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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11547 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2014-02-12 22:49:55 +00:00
parent 9a302200ab
commit c02bc566ad
11 changed files with 6 additions and 103614 deletions
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4
examples/VISCOSITY/in.mp.2d
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@ -70,7 +70,7 @@ thermo_style custom step temp f_4 v_dVx v_visc f_vave
#dump 1 all custom 100 dump.mp.2d id type x y z vx #dump 1 all custom 100 dump.mp.2d id type x y z vx
#dump 1 all image 100 image.*.jpg vx type zoom 1.6 adiam 1.2 #dump 2 all image 100 image.*.jpg vx type zoom 1.6 adiam 1.2
#dump_modify 1 pad 5 amap -0.7 0.7 ca 0.0 2 min blue max red #dump_modify 2 pad 5 amap -0.7 0.7 ca 0.0 2 min blue max red
run 50000 run 50000

4
examples/VISCOSITY/in.nemd.2d
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@ -77,7 +77,7 @@ thermo_modify temp tilt
#dump 1 all custom 50 dump.nemd.2d id type x y z vx #dump 1 all custom 50 dump.nemd.2d id type x y z vx
#dump 1 all image 50 image.*.jpg vx type zoom 1.2 adiam 1.2 #dump 2 all image 50 image.*.jpg vx type zoom 1.2 adiam 1.2
#dump_modify 1 pad 5 amap 0.0 ${srate} ca 0.0 2 min blue max red #dump_modify 2 pad 5 amap 0.0 ${srate} ca 0.0 2 min blue max red
run 50000 run 50000

4
examples/VISCOSITY/in.wall.2d
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@ -77,7 +77,7 @@ thermo_modify temp tilt
#dump 1 all custom 50 dump.wall.2d id type x y z vx #dump 1 all custom 50 dump.wall.2d id type x y z vx
#dump 1 all image 50 image.*.jpg vx type zoom 1.6 adiam 1.2 #dump 2 all image 50 image.*.jpg vx type zoom 1.6 adiam 1.2
#dump_modify 1 pad 5 amap 0.0 ${srate} ca 0.0 2 min blue max red #dump_modify 2 pad 5 amap 0.0 ${srate} ca 0.0 2 min blue max red
run 50000 run 50000

386
examples/VISCOSITY/log.gk.2d.12Sep13
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@ -1,386 +0,0 @@
LAMMPS (10 Sep 2013)
# sample LAMMPS input script for viscosity of 2d LJ liquid
# Green-Kubo method via fix ave/correlate
# settings
variable x equal 20
variable y equal 20
variable rho equal 0.6
variable t equal 1.0
variable rc equal 2.5
variable p equal 400 # correlation length
variable s equal 5 # sample interval
variable d equal $p*$s # dump interval
variable d equal 400*$s
variable d equal 400*5
# problem setup
units lj
dimension 2
atom_style atomic
neigh_modify delay 0 every 1
lattice sq2 ${rho}
lattice sq2 0.5999999999999999778
Lattice spacing in x,y,z = 1.82574 1.82574 1.82574
region simbox block 0 $x 0 $y -0.1 0.1
region simbox block 0 20 0 $y -0.1 0.1
region simbox block 0 20 0 20 -0.1 0.1
create_box 1 simbox
Created orthogonal box = (0 0 -0.182574) to (36.5148 36.5148 0.182574)
1 by 1 by 1 MPI processor grid
create_atoms 1 box
Created 800 atoms
pair_style lj/cut ${rc}
pair_style lj/cut 2.5
pair_coeff * * 1 1
mass * 1.0
velocity all create $t 97287
velocity all create 1 97287
# equilibration run
fix 1 all nve
fix 2 all langevin $t $t 0.1 498094
fix 2 all langevin 1 $t 0.1 498094
fix 2 all langevin 1 1 0.1 498094
fix 3 all enforce2d
thermo $d
thermo 2000
run 10000
Memory usage per processor = 2.07097 Mbytes
Step Temp E_pair E_mol TotEng Press
0 1 -1.56492 0 -0.56617 -1.535262
2000 1.0164992 -1.6006146 0 -0.58538603 0.88642098
4000 1.0955206 -1.6156387 0 -0.52148756 0.94410568
6000 1.0384034 -1.6029204 0 -0.56581499 0.82862864
8000 1.03126 -1.5776603 0 -0.54768937 1.122187
10000 1.0159313 -1.6063811 0 -0.59171973 0.9961884
Loop time of 1.89357 on 1 procs for 10000 steps with 800 atoms
Pair time (%) = 1.05965 (55.9602)
Neigh time (%) = 0.227317 (12.0047)
Comm time (%) = 0.0356276 (1.88151)
Outpt time (%) = 5.60284e-05 (0.00295888)
Other time (%) = 0.570923 (30.1506)
Nlocal: 800 ave 800 max 800 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 264 ave 264 max 264 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 5614 ave 5614 max 5614 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 5614
Ave neighs/atom = 7.0175
Neighbor list builds = 1103
Dangerous builds = 0
velocity all scale $t
velocity all scale 1
unfix 2
# Green-Kubo viscosity calculation
reset_timestep 0
variable pxy equal pxy
fix SS all ave/correlate $s $p $d v_pxy type auto file profile.gk.2d ave running
fix SS all ave/correlate 5 $p $d v_pxy type auto file profile.gk.2d ave running
fix SS all ave/correlate 5 400 $d v_pxy type auto file profile.gk.2d ave running
fix SS all ave/correlate 5 400 2000 v_pxy type auto file profile.gk.2d ave running
variable scale equal 1.0/$t*vol*$s*dt
variable scale equal 1.0/1*vol*$s*dt
variable scale equal 1.0/1*vol*5*dt
variable v11 equal trap(f_SS[3])*${scale}
variable v11 equal trap(f_SS[3])*33.333333333333328596
thermo_style custom step temp press pxy v_v11
run 500000
Memory usage per processor = 2.07097 Mbytes
Step Temp Press Pxy v11
0 1 0.98664157 0.1056765 0.18612539
2000 0.95291404 1.199872 0.16190354 6.3622865
4000 0.97035474 0.95019583 -0.028108952 -0.019331326
6000 0.99784792 1.0066466 0.0085549073 -0.12148778
8000 0.99816414 0.90521139 0.00095639386 0.0098644997
10000 0.9951641 0.96718253 0.090881095 0.50006024
12000 0.93744355 1.2391514 0.014185646 1.4928658
14000 1.000559 0.97734913 -0.096964014 1.3899184
16000 1.002721 1.1185539 0.026144411 1.0983068
18000 0.96861294 1.0439439 0.090245855 1.4107497
20000 0.98664185 0.97686008 -0.27549912 1.3394189
22000 0.97569716 1.0845656 -0.0734503 1.2870138
24000 0.98609865 1.0625182 -0.01142576 1.0253871
26000 0.988828 0.99456937 -0.019918137 0.9418664
28000 0.98671933 0.94373279 -0.21675597 0.94445052
30000 0.98778176 0.8446134 0.15106071 0.9681741
32000 0.97606274 1.0297113 -0.15539564 0.91574182
34000 1.0018246 0.96354339 0.0040827444 0.86638522
36000 1.0106496 0.78936538 -0.075881707 0.85472064
38000 1.002101 0.84613466 0.096875042 0.79935874
40000 0.99674744 1.0228324 0.068840647 0.75555879
42000 0.98994908 0.96088667 -0.067028764 0.89587645
44000 0.96432917 1.0396458 -0.14766862 0.98252655
46000 0.9857594 1.0493731 -0.16618989 0.92998032
48000 0.99435908 1.0474288 -0.099147004 0.96068255
50000 0.98424778 1.0498745 -0.02093585 0.91727045
52000 1.0087964 1.0044041 -0.17322 0.85023294
54000 0.98865025 0.96826791 -0.0040697022 0.78082036
56000 0.99830593 0.85271022 -0.0095598719 0.76991826
58000 1.0067449 0.83099437 -0.0088816687 0.73064231
60000 0.99157769 0.97115433 0.054722168 0.68728526
62000 0.98221722 1.0180359 -0.019303097 0.6924154
64000 1.0107737 0.8729291 0.14432752 0.67840745
66000 0.98057736 1.147233 -0.15209863 0.6829561
68000 0.99861459 1.013 0.096201469 0.64354984
70000 0.99465851 0.99448469 -0.15043327 0.65410181
72000 0.96494888 1.0879386 0.10533378 0.59884711
74000 0.98295883 1.0364372 -0.15043121 0.89748148
76000 1.0006934 1.0423573 -0.019296985 0.96967781
78000 0.97007774 0.89100292 0.082518797 1.0416848
80000 0.9673494 1.0862372 0.0059477626 1.0154864
82000 1.00901 0.91118297 0.11024238 1.0445278
84000 0.99091853 1.029323 0.064448536 1.0177414
86000 0.99769204 1.0031789 0.049276808 1.012145
88000 1.0043966 0.87571549 0.0098902782 1.0258499
90000 0.98664263 0.95754039 -0.078411226 1.0183036
92000 0.97082418 1.0007131 -0.16528157 1.0313541
94000 0.9718415 1.134436 0.13053227 1.0133067
96000 0.97769459 1.1823894 -0.034238523 0.98394844
98000 1.0212676 1.0322511 0.019298484 0.98987481
100000 0.98939854 0.94010891 -0.14270608 0.93622435
102000 0.99029022 1.032313 -0.084354688 0.9349947
104000 0.97710114 0.93914663 -0.061639137 0.95912515
106000 1.0015283 0.94261993 -0.065425987 0.98677831
108000 1.0277867 0.90869174 0.012240704 0.93883613
110000 0.99627564 0.96468532 0.016729662 0.92041863
112000 1.0053403 0.89703815 0.053013062 0.90792399
114000 1.0061962 0.88630948 0.074929857 0.89048522
116000 0.95237809 1.0422611 0.03659581 0.90269348
118000 0.99935668 0.95007176 0.17759824 0.91222275
120000 0.96695648 1.0439211 0.034405839 0.97878534
122000 0.97945456 0.99746187 0.0068417 0.97320581
124000 1.0205146 0.94768233 -0.0059643466 0.97517978
126000 0.99066371 1.1996852 -0.014932912 0.98986369
128000 0.98292228 1.0610561 0.045677014 0.99324967
130000 0.97938306 1.056683 -0.070425405 1.0229877
132000 0.98907671 1.1401504 0.017589327 1.0266663
134000 0.97298779 1.0372376 -0.053985765 1.0140165
136000 1.006034 0.95903957 0.02253597 0.99236069
138000 0.99107129 0.93393363 0.12735171 0.97191787
140000 0.97467096 1.1824765 -0.037275252 0.95115537
142000 0.99599019 0.93770801 -0.0063475745 0.91527534
144000 0.98928711 1.0100989 -0.14030583 0.92830561
146000 1.0252234 0.86035265 -0.10246737 0.93782417
148000 1.014654 0.79624898 0.016043825 0.91183296
150000 1.0025365 0.94434929 0.061147641 0.91181019
152000 0.98239056 0.96273739 -0.06423689 0.91302568
154000 0.99242128 1.0133692 0.054121583 0.90943966
156000 0.9565225 1.1188086 0.14095454 0.90748691
158000 0.98447114 1.0678162 0.029354999 0.95922918
160000 0.99401344 0.88196818 0.035219872 0.95995359
162000 0.99157731 0.98581187 0.092655892 1.0460888
164000 0.98700844 1.0628065 -0.097600946 1.0021877
166000 0.99653656 1.0967715 -0.13363058 1.0272155
168000 0.97631159 1.0234334 -0.085606659 1.0452207
170000 1.0037365 0.87168897 -0.05818739 1.1534091
172000 0.99599564 0.9223394 -0.021708101 1.1079595
174000 0.95487975 1.1632417 0.07399437 1.0992262
176000 0.99699032 1.0259118 -0.069297394 1.086451
178000 0.99794248 0.92978817 -0.036423033 1.0850363
180000 0.97147417 1.0886532 -0.10560093 1.0831337
182000 0.9875809 1.1116588 0.074972498 1.1130653
184000 0.97900449 0.93659533 -0.039279882 1.1189945
186000 0.9679462 1.2538405 -0.015579462 1.099796
188000 1.0074452 0.87991578 -0.20476294 1.1007234
190000 0.97473004 0.98106665 -0.072522838 1.0894785
192000 0.98717919 0.9718274 0.059062062 1.086273
194000 1.0030985 0.94066352 0.15646304 1.1914576
196000 0.98500284 0.96429266 0.11204948 1.1594863
198000 0.9840631 0.90903459 -0.0053663326 1.1502972
200000 0.97458345 1.0019506 0.00027337741 1.1410582
202000 0.98772368 1.0082562 0.0069097265 1.2104792
204000 0.99875662 0.90609936 -0.024992308 1.2337143
206000 0.98028117 0.92135146 0.015407324 1.2200096
208000 0.98909505 0.89346463 -0.13505415 1.2282618
210000 0.99264762 1.0637228 0.15772329 1.2298716
212000 1.001344 0.92015447 -0.022356905 1.2175726
214000 1.0199747 0.92259571 0.012763156 1.2046812
216000 0.95599898 1.0739248 -0.075513344 1.1935807
218000 0.99797077 1.0673568 0.049840078 1.1801809
220000 0.9905579 0.97950128 0.058186552 1.2027082
222000 0.99177609 1.028659 -0.076396538 1.1782589
224000 1.0105632 1.0136738 0.039008755 1.1848006
226000 1.0023731 0.8427875 -0.10734019 1.177471
228000 0.98752126 0.90957923 -0.050531743 1.3182698
230000 0.9810267 1.0784386 0.08508881 1.3092904
232000 1.0021266 0.93921109 -0.18635777 1.2973489
234000 0.99533025 0.91807335 0.16664865 1.2848923
236000 0.98011149 0.92896398 0.020234263 1.2941781
238000 1.0080589 1.0422206 0.080342493 1.2756861
240000 1.013769 0.91271642 0.10024033 1.2720643
242000 1.0084395 0.8645878 -0.014896263 1.2473047
244000 0.96637824 1.0817071 -0.16165169 1.2490751
246000 0.97629725 1.0768466 0.062453669 1.2348816
248000 0.97081168 0.95332682 0.09584424 1.2232201
250000 1.001316 0.90207588 -0.045980098 1.2179401
252000 1.0107243 0.97832107 -0.14601722 1.2134106
254000 0.98659744 1.0943909 -0.088294528 1.2333875
256000 1.0123386 0.99162386 -0.039344985 1.2164364
258000 0.95762302 1.0676734 0.012199759 1.2076414
260000 0.99842463 0.99944454 -0.060917216 1.1988621
262000 0.97766994 1.0286325 -0.10141058 1.2395609
264000 0.97615582 0.90531751 0.18512981 1.2044769
266000 0.96241019 1.0566036 0.078113491 1.2005364
268000 1.0168176 0.81665569 -0.030349244 1.2025997
270000 0.99827104 1.0749573 -0.056801916 1.1962529
272000 0.9968558 0.94529972 0.028725191 1.1828897
274000 0.97566641 0.91457261 0.015049168 1.1902579
276000 0.99070015 0.94576384 0.025755724 1.1896323
278000 0.96895102 1.0397797 0.080651494 1.1763571
280000 1.0072996 0.89570696 -0.15542961 1.1652696
282000 1.0144016 0.77288242 -0.029784437 1.1582708
284000 1.0181351 0.7694665 -0.054640099 1.1544617
286000 0.98291392 0.9938831 -0.0062479011 1.1596522
288000 0.97279582 1.0358224 -0.13401081 1.1505486
290000 0.99909636 1.0213079 -0.0012162009 1.1399725
292000 0.98460352 0.94742548 -0.031343507 1.1581955
294000 0.99038521 0.98665849 0.051955637 1.1524198
296000 0.99556533 0.86180797 0.055142099 1.1523058
298000 0.97636077 0.98781403 0.013204553 1.129189
300000 0.97032776 1.0678134 0.11879155 1.1176141
302000 1.0003067 0.87686391 0.023979249 1.1210971
304000 1.0209877 0.82384059 -0.019162225 1.1201332
306000 0.98495148 0.97853853 0.0067884582 1.1146556
308000 1.0080456 0.89962394 -0.039014939 1.1072495
310000 0.98760314 1.0580182 -0.0084950963 1.1128641
312000 1.0163132 0.743878 -0.13381063 1.1072529
314000 0.97482482 0.93981262 0.1188583 1.1113744
316000 0.99642196 0.92559157 -0.076386258 1.1180406
318000 0.98668334 0.9960588 0.051851225 1.1282305
320000 1.018361 0.82279734 -0.033370883 1.1306313
322000 1.0101361 0.79697655 -0.0097104031 1.1269227
324000 0.98374012 0.89538164 0.072387631 1.1184602
326000 1.0005728 0.81698596 -0.097827025 1.1067008
328000 0.98296796 1.0888354 -0.00019150727 1.1026196
330000 0.97244323 1.1015085 0.047308269 1.0967215
332000 0.99301221 1.0908167 -0.12434045 1.0911357
334000 0.99279827 1.0192878 -0.030977699 1.0804029
336000 0.98580679 1.055276 0.11288823 1.0750277
338000 0.98757346 1.0072102 0.10201237 1.0933627
340000 1.0067327 0.87701361 0.067382458 1.0850067
342000 1.0154351 0.94291159 0.070059816 1.0801363
344000 0.9743083 1.1059353 0.066961003 1.1524185
346000 0.99814584 1.0356474 -0.016510209 1.1432772
348000 0.97641572 1.1686199 0.046528576 1.1496039
350000 0.99518846 1.0517486 0.13448583 1.1381818
352000 0.98588655 0.98536282 -0.060862396 1.1294455
354000 0.96615995 1.1110151 0.083719861 1.1256268
356000 1.0078606 0.78439358 -0.10603102 1.1362455
358000 0.99367549 1.0489552 0.07500459 1.1427616
360000 0.98811261 1.0329632 0.02037644 1.1456498
362000 0.99543973 0.89319851 0.071618522 1.1516636
364000 0.98165417 0.88412777 0.01496297 1.1479466
366000 0.97321522 1.1989343 0.12226461 1.1407247
368000 0.98226259 0.98513508 -0.032773905 1.145514
370000 0.98523554 0.99191598 0.048321875 1.1454723
372000 0.99757543 1.0704533 -0.044499362 1.1397563
374000 0.96826544 1.0155716 0.10537727 1.1380956
376000 0.97764036 0.91461704 -0.0071326471 1.1311759
378000 0.96197183 1.2654546 0.063772824 1.1342523
380000 0.9563135 0.92013089 0.14946354 1.122797
382000 0.99157671 1.1416454 -0.0020281283 1.1146792
384000 0.99439496 1.0461009 -0.095485509 1.1101174
386000 0.9964491 0.96726205 -0.096570092 1.1043801
388000 0.98660387 0.92002862 -0.050238768 1.1028544
390000 0.97619357 0.95568771 -0.0093958893 1.0994103
392000 0.97043698 1.1278757 0.078765507 1.1095933
394000 0.97478556 0.93908482 0.010033169 1.0896552
396000 0.98483138 0.88172231 -0.0092943479 1.0731932
398000 0.99224177 0.84195437 -0.0059744644 1.0682901
400000 1.0140238 0.88969569 -0.14294787 1.0626823
402000 0.98939257 0.91691411 0.0064466276 1.0892164
404000 0.9930004 0.91196344 -0.15724573 1.0852194
406000 0.98184881 0.93556127 -0.030604809 1.0779626
408000 1.0097979 0.97009028 -0.011737511 1.0779471
410000 0.9913927 0.9406984 0.00091540813 1.0902918
412000 0.95799086 1.1298786 -0.03512312 1.1138864
414000 1.0089501 0.84475916 0.13645298 1.1142398
416000 0.9897256 0.98316262 0.010485716 1.1164657
418000 1.0133333 0.86050241 0.055260598 1.1048567
420000 0.97407581 0.97216618 0.098782939 1.1125666
422000 1.0009494 0.88470049 0.038139624 1.1163397
424000 0.97321563 1.1466493 -0.086272829 1.1173945
426000 0.96442304 1.0810966 -0.061944411 1.1068751
428000 0.9982547 0.87602547 0.081196445 1.1070854
430000 0.97915448 1.1485682 -0.065531916 1.1259179
432000 0.96422041 1.1298461 -0.0082763069 1.1175144
434000 0.99510123 1.0224406 -0.11423626 1.1160931
436000 1.0240236 0.88695443 0.0075708194 1.1085978
438000 0.99001944 1.0244717 0.075879487 1.1212094
440000 1.0116423 0.89412767 -0.11768379 1.1190682
442000 0.98993631 0.92631483 0.067324168 1.111235
444000 0.95107091 1.1508927 0.0019160629 1.1098578
446000 0.98621381 0.91043895 -0.061521131 1.1148618
448000 0.97695569 1.177126 -0.05322695 1.1104409
450000 0.99066051 0.99745105 0.080431605 1.1058023
452000 1.0146071 0.95227428 0.007801217 1.1249178
454000 0.99162513 0.96925579 -0.036153968 1.1100001
456000 1.0215781 0.88427275 -0.050979723 1.1071667
458000 0.98021089 0.84902388 0.08620799 1.1003492
460000 0.98981752 1.0990911 0.047765387 1.1091971
462000 0.97418524 1.023144 -0.11243577 1.101482
464000 0.98172755 1.0676962 0.065603574 1.0966983
466000 0.99352242 0.88377489 0.11849997 1.0934089
468000 0.9916114 0.9404547 0.041191002 1.0843991
470000 0.9675487 1.0416201 0.038992075 1.0909162
472000 0.97960188 1.0249638 0.1102279 1.087763
474000 0.97114134 1.1160983 0.046857123 1.0919439
476000 0.99567674 0.93675154 -0.06832563 1.0879316
478000 0.9784867 1.0660872 0.0030176417 1.0834439
480000 0.99936399 0.97607692 0.096835801 1.0780983
482000 1.0274496 0.87081314 0.054818419 1.0724507
484000 0.97139265 1.0730706 -0.12345378 1.0754362
486000 0.97408298 0.99765268 -0.0064488819 1.0691212
488000 0.9873109 1.0488011 0.001679366 1.0680362
490000 1.0289514 0.77625996 -0.090952895 1.0799008
492000 0.98122494 0.97560083 0.068756789 1.0746541
494000 1.0009648 1.0046735 0.013556863 1.074882
496000 0.96262432 0.94043431 -0.1359217 1.078487
498000 1.00248 1.1101056 -0.065062628 1.0774483
500000 0.964375 1.1119972 0.062483884 1.0744491
Loop time of 78.4755 on 1 procs for 500000 steps with 800 atoms
Pair time (%) = 54.1325 (68.9801)
Neigh time (%) = 12.1352 (15.4637)
Comm time (%) = 1.85499 (2.36378)
Outpt time (%) = 0.00424814 (0.00541334)
Other time (%) = 10.3486 (13.1871)
Nlocal: 800 ave 800 max 800 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 267 ave 267 max 267 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 5583 ave 5583 max 5583 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 5583
Ave neighs/atom = 6.97875
Neighbor list builds = 58699
Dangerous builds = 0
variable eta equal v_v11
print "running average viscosity: ${eta}"
running average viscosity: 1.0744491378557243788

231
examples/VISCOSITY/log.mp.2d.12Sep13
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LAMMPS (10 Sep 2013)
# sample LAMMPS input script for viscosity of 2d LJ liquid
# Muller-Plathe via fix viscosity
# settings
variable x equal 20
variable y equal 20
variable rho equal 0.6
variable t equal 1.0
variable rc equal 2.5
# problem setup
units lj
dimension 2
atom_style atomic
neigh_modify delay 0 every 1
lattice sq2 ${rho}
lattice sq2 0.5999999999999999778
Lattice spacing in x,y,z = 1.82574 1.82574 1.82574
region simbox block 0 $x 0 $y -0.1 0.1
region simbox block 0 20 0 $y -0.1 0.1
region simbox block 0 20 0 20 -0.1 0.1
create_box 1 simbox
Created orthogonal box = (0 0 -0.182574) to (36.5148 36.5148 0.182574)
1 by 1 by 1 MPI processor grid
create_atoms 1 box
Created 800 atoms
pair_style lj/cut ${rc}
pair_style lj/cut 2.5
pair_coeff * * 1 1
mass * 1.0
velocity all create $t 97287
velocity all create 1 97287
fix 1 all nve
fix 2 all langevin $t $t 0.1 498094
fix 2 all langevin 1 $t 0.1 498094
fix 2 all langevin 1 1 0.1 498094
fix 3 all enforce2d
# equilibration run
thermo 1000
run 5000
Memory usage per processor = 2.07097 Mbytes
Step Temp E_pair E_mol TotEng Press
0 1 -1.56492 0 -0.56617 -1.535262
1000 0.95906897 -1.571142 0 -0.61327189 0.82593948
2000 1.0164992 -1.6006146 0 -0.58538603 0.88642098
3000 1.0429232 -1.5801639 0 -0.53854441 1.157286
4000 1.0955206 -1.6156387 0 -0.52148756 0.94410568
5000 0.94117594 -1.6155055 0 -0.67550602 0.79354125
Loop time of 0.942546 on 1 procs for 5000 steps with 800 atoms
Pair time (%) = 0.528146 (56.0339)
Neigh time (%) = 0.111906 (11.8728)
Comm time (%) = 0.0176415 (1.87169)
Outpt time (%) = 5.19753e-05 (0.00551435)
Other time (%) = 0.284801 (30.2161)
Nlocal: 800 ave 800 max 800 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 256 ave 256 max 256 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 5583 ave 5583 max 5583 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 5583
Ave neighs/atom = 6.97875
Neighbor list builds = 551
Dangerous builds = 0
unfix 2
# turn on Muller-Plathe driving force and equilibrate some more
velocity all scale $t
velocity all scale 1
fix 4 all viscosity 100 x y 20
fix 5 all ave/spatial 20 50 1000 y center 0.05 vx units reduced file profile.mp.2d
# equilibration run
variable dVx equal f_5[11][3]-f_5[1][3]
variable dVx2 equal f_5[11][3]-f_5[1][3]
thermo 1000
thermo_style custom step temp epair etotal press f_4 v_dVx
run 20000
WARNING: Fix viscosity comes before fix ave/spatial (../fix_viscosity.cpp:129)
Memory usage per processor = 2.07189 Mbytes
Step Temp E_pair TotEng Press 4 dVx
5000 1 -1.6155055 -0.61675549 0.82879157 0 0
6000 0.98975585 -1.6044976 -0.61597892 0.88929475 -39.757283 0.48550248
7000 1.0171117 -1.6325992 -0.61675882 0.77321875 -75.466189 0.86487832
8000 0.9983443 -1.6139399 -0.61684356 0.99800071 -108.9786 0.89305681
9000 1.0021377 -1.617938 -0.61705295 0.96356104 -140.71079 1.0025994
10000 0.98041956 -1.5963475 -0.61715341 0.91025147 -166.90846 1.092139
11000 0.99600832 -1.6118627 -0.61709934 0.92678088 -196.07977 1.2437892
12000 1.0032773 -1.6185577 -0.61653447 0.83123611 -224.27343 1.3174873
13000 0.99446644 -1.6102636 -0.61704022 1.0408681 -249.65561 1.5231707
14000 0.99703794 -1.6124962 -0.6167046 0.88919618 -274.47539 1.4862409
15000 0.99889843 -1.6143324 -0.61668259 1.0041418 -301.54284 1.3956914
16000 1.0234202 -1.639108 -0.61696709 0.76317815 -330.0367 1.1891187
17000 0.98929215 -1.6045613 -0.61650577 1.0634542 -357.1234 1.4953356
18000 1.0287489 -1.6442118 -0.61674884 0.77339567 -380.94903 1.4938196
19000 1.0100899 -1.6257365 -0.6169092 0.87836452 -405.45675 1.6416654
20000 1.026862 -1.641991 -0.61641257 0.70998705 -432.85955 1.4197865
21000 1.0191092 -1.6350774 -0.61724212 0.95544428 -457.90745 1.3511335
22000 1.0494154 -1.6646933 -0.61658976 0.71132454 -483.85578 1.4183906
23000 0.99407102 -1.6095995 -0.61677106 0.87254846 -513.39632 1.327897
24000 1.0074971 -1.6233079 -0.61707018 0.87490828 -537.79433 1.5527118
25000 0.98809909 -1.6039328 -0.61706881 1.0343859 -564.04288 1.4440512
Loop time of 3.06212 on 1 procs for 20000 steps with 800 atoms
Pair time (%) = 2.12557 (69.4151)
Neigh time (%) = 0.477372 (15.5896)
Comm time (%) = 0.0730796 (2.38657)
Outpt time (%) = 0.000255585 (0.00834665)
Other time (%) = 0.385842 (12.6005)
Nlocal: 800 ave 800 max 800 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 274 ave 274 max 274 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 5645 ave 5645 max 5645 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 5645
Ave neighs/atom = 7.05625
Neighbor list builds = 2341
Dangerous builds = 0
# data gathering run
# reset fix viscosity to zero flux accumulation
unfix 4
fix 4 all viscosity 100 x y 20
variable visc equal -(f_4/(2*(step*0.005-125)*lx+1.0e-10))/(v_dVx/(ly/2))
fix vave all ave/time 1000 1 1000 v_visc ave running start 26000
thermo_style custom step temp f_4 v_dVx v_visc f_vave
# only need to run for 5000 steps to make a good 100-frame movie
#dump 1 all custom 50 dump.mp.2d id type x y z vx
#dump 1 all image 50 image.*.jpg vx type zoom 1.6 adiam 1.2
#dump_modify 1 pad 5 amap -0.7 0.7 ca 0.0 2 min blue max red
run 50000
Memory usage per processor = 2.11004 Mbytes
Step Temp 4 dVx visc vave
25000 0.98809909 0 1.4440512 -0 0
26000 0.99537148 -23.157779 1.412973 0.81946998 0.40973499
27000 0.98172329 -50.105785 1.3197774 0.94913323 0.5895344
28000 0.98101288 -76.343112 1.4298305 0.88988535 0.66462214
29000 0.99394022 -104.74751 1.4403693 0.90903347 0.71350441
30000 1.0325928 -133.8316 1.300817 1.0288272 0.76605821
31000 0.99207021 -162.86199 1.3745462 0.98736818 0.79767392
32000 0.99574775 -195.02329 1.3486107 1.0329323 0.82708121
33000 1.006688 -224.4372 1.0930045 1.2833731 0.87778031
34000 1.0133299 -249.93292 1.3174802 1.0539181 0.89539409
35000 0.98760774 -276.64509 1.280583 1.0801529 0.91219034
36000 1.007095 -305.71096 1.2589337 1.1037875 0.92815677
37000 0.99906577 -336.66963 1.3461986 1.042038 0.93691686
38000 1.0084072 -363.13013 1.3332354 1.0475677 0.9448205
39000 1.0121876 -388.77058 1.3093732 1.0604054 0.95252616
40000 1.0137703 -413.8783 1.2429016 1.1099788 0.96236694
41000 1.0269059 -441.65914 1.2109583 1.1397459 0.972801
42000 1.0299181 -469.53275 1.3887845 0.9943794 0.9739998
43000 1.0114277 -496.95032 1.3872952 0.99504239 0.97510731
44000 1.0113759 -521.99588 1.4825577 0.92655643 0.97267976
45000 1.0141433 -548.17271 1.33367 1.0275643 0.97529331
46000 0.99162488 -575.96021 1.4774694 0.92816393 0.97315107
47000 1.0220618 -603.83376 1.6136313 0.85047274 0.96781723
48000 1.0111765 -631.33375 1.4789481 0.92800056 0.9661582
49000 0.97881848 -659.55746 1.3598401 1.0104703 0.96793068
50000 1.0216782 -685.35361 1.5371155 0.89173987 0.96500027
51000 1.028535 -710.54876 1.4698073 0.92967286 0.96369184
52000 1.0143597 -739.56707 1.2783137 1.071387 0.9675381
53000 1.0108168 -764.66386 1.2950405 1.0543849 0.97053282
54000 1.0114331 -790.87474 1.4104105 0.96679451 0.97040821
55000 1.0164027 -817.72537 1.3204046 1.0321652 0.97240037
56000 0.99176035 -844.83648 1.4039286 0.97059029 0.9723438
57000 1.0004064 -870.94837 1.3816966 0.98491729 0.97272482
58000 1.0117453 -900.0605 1.2180766 1.1195749 0.97704394
59000 0.99226606 -923.07079 1.3557206 1.0012808 0.97773642
60000 1.0031829 -952.55552 1.3167627 1.0334387 0.9792837
61000 1.0223094 -981.61993 1.2497411 1.0909148 0.98230076
62000 1.0242885 -1012.8531 1.4041882 0.97474139 0.98210183
63000 0.99566343 -1041.4676 1.5385296 0.89068945 0.97975792
64000 0.9974131 -1067.1595 1.4640016 0.93452986 0.97862722
65000 1.0126848 -1095.0891 1.3566924 1.0089696 0.97936728
66000 1.0008861 -1120.8615 1.2463389 1.0967356 0.98216176
67000 1.0029467 -1146.778 1.1837667 1.1532778 0.98614121
68000 1.0000345 -1173.301 1.352134 1.0090002 0.98666073
69000 1.0173152 -1205.3517 1.2771692 1.0724639 0.98856746
70000 0.98187515 -1231.6872 1.3578153 1.0078995 0.98898773
71000 1.0102662 -1257.5675 1.4279627 0.95725278 0.98831251
72000 1.0069313 -1286.4021 1.2909422 1.0600884 0.98980784
73000 0.98551805 -1315.8466 1.2710878 1.0783468 0.99161476
74000 1.0249532 -1342.624 1.193001 1.1483851 0.99475017
75000 0.9987759 -1370.2176 1.2461839 1.0995308 0.99680469
Loop time of 7.65917 on 1 procs for 50000 steps with 800 atoms
Pair time (%) = 5.31327 (69.3714)
Neigh time (%) = 1.19582 (15.6129)
Comm time (%) = 0.183408 (2.39462)
Outpt time (%) = 0.000780344 (0.0101884)
Other time (%) = 0.965895 (12.611)
Nlocal: 800 ave 800 max 800 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 261 ave 261 max 261 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 5581 ave 5581 max 5581 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 5581
Ave neighs/atom = 6.97625
Neighbor list builds = 5860
Dangerous builds = 0

264
examples/VISCOSITY/log.nemd.2d.12Sep13
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LAMMPS (10 Sep 2013)
# sample LAMMPS input script for viscosity of 2d LJ liquid
# NEMD via fix deform and fix nvt/sllod
# settings
variable x equal 20
variable y equal 20
variable rho equal 0.6
variable t equal 1.0
variable rc equal 2.5
variable srate equal 2.7
# problem setup
units lj
dimension 2
atom_style atomic
neigh_modify delay 0 every 1
# problem setup
lattice sq2 ${rho}
lattice sq2 0.5999999999999999778
Lattice spacing in x,y,z = 1.82574 1.82574 1.82574
region simbox prism 0 $y 0 $y -0.1 0.1 0.0 0.0 0.0
region simbox prism 0 20 0 $y -0.1 0.1 0.0 0.0 0.0
region simbox prism 0 20 0 20 -0.1 0.1 0.0 0.0 0.0
create_box 1 simbox
Created triclinic box = (0 0 -0.182574) to (36.5148 36.5148 0.182574) with tilt (0 0 0)
1 by 1 by 1 MPI processor grid
create_atoms 1 box
Created 800 atoms
pair_style lj/cut ${rc}
pair_style lj/cut 2.5
pair_coeff * * 1 1
mass * 1.0
velocity all create $t 97287
velocity all create 1 97287
fix 1 all nve
fix 2 all langevin $t $t 0.1 498094
fix 2 all langevin 1 $t 0.1 498094
fix 2 all langevin 1 1 0.1 498094
fix 3 all enforce2d
# equilibration run
thermo 1000
run 5000
Memory usage per processor = 2.07097 Mbytes
Step Temp E_pair E_mol TotEng Press
0 1 -1.56492 0 -0.56617 -1.535262
1000 0.9455393 -1.573329 0 -0.62897162 0.91884199
2000 1.0359047 -1.6229551 0 -0.58834528 0.96136682
3000 1.0171488 -1.5468681 0 -0.53099077 1.1078235
4000 1.0040221 -1.5977142 0 -0.59494717 0.92428924
5000 0.95883045 -1.6087309 0 -0.65109902 0.92015626
Loop time of 0.995848 on 1 procs for 5000 steps with 800 atoms
Pair time (%) = 0.530232 (53.2443)
Neigh time (%) = 0.155753 (15.6403)
Comm time (%) = 0.0214312 (2.15206)
Outpt time (%) = 5.38826e-05 (0.00541073)
Other time (%) = 0.288377 (28.958)
Nlocal: 800 ave 800 max 800 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 266 ave 266 max 266 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 5604 ave 5604 max 5604 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 5604
Ave neighs/atom = 7.005
Neighbor list builds = 548
Dangerous builds = 0
unfix 1
unfix 2
# turn on NEMD shear and equilibrate some more
velocity all scale $t
velocity all scale 1
variable xyrate equal ${srate}/lx
variable xyrate equal 2.7000000000000001776/lx
fix 1 all nvt/sllod temp $t $t 0.1
fix 1 all nvt/sllod temp 1 $t 0.1
fix 1 all nvt/sllod temp 1 1 0.1
fix 2 all deform 1 xy erate ${xyrate} remap v
fix 2 all deform 1 xy erate 0.07394254526319743448 remap v
fix 4 all ave/spatial 20 250 5000 y center 0.05 vx units reduced file profile.nemd.2d
compute usual all temp
compute tilt all temp/deform
thermo 1000
thermo_style custom step temp c_usual epair etotal press pxy
thermo_modify temp tilt
run 50000
Memory usage per processor = 2.07189 Mbytes
Step Temp usual E_pair TotEng Press Pxy
5000 2.2074694 1 -1.6087309 0.59597912 1.6684031 -0.13173607
6000 0.91633679 1.0719617 -1.6395918 -0.72440047 0.75849191 -0.095097981
7000 1.0124825 1.1977616 -1.6934341 -0.68221723 0.70703149 -0.15913906
8000 1.0360742 1.244051 -1.6664702 -0.63169111 0.87208594 -0.17196758
9000 0.97397154 1.2397496 -1.6727765 -0.7000224 0.80220669 -0.11127356
10000 0.95658497 1.2726404 -1.6735904 -0.71820119 0.67518534 0.021843949
11000 0.99924023 1.3580428 -1.67571 -0.67771886 0.70353983 -0.095458782
12000 1.0433584 1.3936154 -1.6710176 -0.6289634 0.78515023 -0.10560886
13000 1.0405816 1.4490361 -1.6830775 -0.64379669 0.61832448 -0.11781994
14000 1.0497802 1.4357015 -1.6534549 -0.60498685 0.76907329 0.017545708
15000 0.96121525 1.3821511 -1.6498177 -0.68980398 0.95020534 -0.080877133
16000 1.0267815 1.4361052 -1.6538729 -0.62837492 0.68232896 -0.070333365
17000 0.93630695 1.3935392 -1.6232359 -0.68809929 0.76153713 0.0065771149
18000 1.0096924 1.5362618 -1.6690032 -0.66057292 0.74673844 -0.0020401284
19000 0.98814671 1.4707103 -1.6447486 -0.65783707 0.72488074 -0.13287245
20000 0.99667627 1.5457608 -1.6408152 -0.64538473 0.60598401 -0.0076374847
21000 0.98153893 1.5408205 -1.6148102 -0.63449823 0.80827079 -0.13251983
22000 1.0074242 1.6101043 -1.6422641 -0.63609914 0.90042046 -0.24385712
23000 0.95365942 1.5736051 -1.6412154 -0.68874806 0.8559935 -0.2467715
24000 0.98446077 1.5616505 -1.6395606 -0.65633045 0.73483641 -0.08920475
25000 1.0485516 1.6856359 -1.6399653 -0.5927244 0.84977844 -0.075926647
26000 0.96582655 1.5721629 -1.5882566 -0.62363728 0.81869074 0.090152592
27000 0.97557823 1.6668575 -1.6191458 -0.64478708 0.91081614 -0.19376266
28000 1.0303654 1.6964024 -1.6092391 -0.5801616 0.86334845 -0.17578668
29000 1.0622338 1.7710626 -1.6229948 -0.5620888 0.99336949 -0.14536132
30000 0.96943779 1.6600645 -1.6139092 -0.6456832 0.9989094 -0.02138527
31000 0.93832908 1.6925042 -1.6176446 -0.68048846 0.95346065 -0.17742851
32000 0.9875824 1.725668 -1.6119922 -0.62564431 0.96558919 -0.043195696
33000 0.99760198 1.7058006 -1.6052067 -0.60885172 0.98003863 -0.1333913
34000 1.0279367 1.7569574 -1.599245 -0.5725932 0.92585533 -0.16404413
35000 0.93404083 1.7440669 -1.6103769 -0.67750362 0.85837384 -0.23365559
36000 1.050384 1.8439426 -1.6563916 -0.60732054 0.67392288 -0.10063943
37000 0.94243088 1.7640322 -1.6138567 -0.6726039 0.96591044 -0.027194268
38000 0.98755975 1.8113344 -1.6079596 -0.62163426 1.0223699 -0.201769
39000 1.0420603 1.8627119 -1.5973478 -0.55659 1.0381788 0.12071081
40000 1.0335545 1.8837126 -1.5851743 -0.5529117 0.94822902 -0.10987028
41000 0.94213103 1.8188004 -1.6049587 -0.66400536 0.97923033 0.01154085
42000 1.0356435 1.8901318 -1.6212526 -0.58690373 0.95585859 -0.19557187
43000 0.99015606 1.8799525 -1.6090628 -0.62014448 0.9274227 -0.2300794
44000 1.0161294 1.9551452 -1.6180455 -0.60318623 1.0355228 -0.12706459
45000 0.98674382 1.8916077 -1.6468656 -0.66135521 0.78299308 -0.15774308
46000 1.0113469 1.9533202 -1.5957721 -0.58568941 0.78737351 0.13820702
47000 1.0571363 1.9631114 -1.5772356 -0.52142074 0.95792606 0.029844288
48000 0.94855706 1.8697175 -1.6015863 -0.65421497 0.90993104 -0.34180657
49000 1.0607674 1.9704564 -1.5868247 -0.52738329 1.0716947 -0.034892185
50000 0.97263672 1.9338729 -1.6082924 -0.63687146 1.0235045 -0.16412663
51000 1.0378868 1.9671463 -1.5809392 -0.54434973 1.1981016 0.057155145
52000 1.005245 1.9432386 -1.6053723 -0.60138379 0.96669621 -0.04065554
53000 1.0051888 1.9494803 -1.592364 -0.58843173 0.94235557 -0.082756851
54000 0.98792555 1.9333497 -1.5977723 -0.6110817 1.0539616 -0.052439197
55000 1.0215148 1.9761517 -1.6026169 -0.58237902 0.98461466 -0.014054852
Loop time of 13.2512 on 1 procs for 50000 steps with 800 atoms
Pair time (%) = 5.62991 (42.486)
Neigh time (%) = 3.31133 (24.9889)
Comm time (%) = 0.333608 (2.51757)
Outpt time (%) = 0.00183129 (0.0138198)
Other time (%) = 3.97453 (29.9937)
Nlocal: 800 ave 800 max 800 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 276 ave 276 max 276 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 5608 ave 5608 max 5608 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 5608
Ave neighs/atom = 7.01
Neighbor list builds = 11158
Dangerous builds = 0
# data gathering run
variable visc equal -pxy/(v_srate/ly)
fix vave all ave/time 10 100 1000 v_visc ave running start 56000
thermo_style custom step temp press pxy v_visc f_vave
WARNING: New thermo_style command, previous thermo_modify settings will be lost (../output.cpp:664)
thermo_modify temp tilt
#dump 1 all custom 10 dump.nemd.2d id type x y z vx
run 50000
Memory usage per processor = 2.11211 Mbytes
Step Temp Press Pxy visc vave
55000 1.0215148 0.98406243 -0.015573121 0.2106111 0
56000 0.97676391 0.7935725 -0.097217766 1.3147744 0.94442622
57000 0.98121663 0.97189374 -0.09906427 1.3397466 1.0348472
58000 0.99072249 1.0185041 -0.1107535 1.4978319 1.1148823
59000 1.0339566 1.1930503 -0.11512608 1.5569667 1.136778
60000 0.96659848 0.92099027 -0.040929962 0.55353737 1.1425378
61000 0.91281753 0.94424526 0.0057649576 -0.077965366 1.1569145
62000 0.94858877 1.0998838 -0.017149668 0.23193235 1.1483313
63000 0.95337651 0.89712297 -0.11187696 1.5130256 1.2009105
64000 1.0210948 0.9602771 -0.054478663 0.73677019 1.2148796
65000 1.0504997 0.94778551 -0.15854746 2.1441981 1.2093498
66000 0.98082278 1.0669108 -0.079622124 1.0768107 1.2394021
67000 1.004502 1.0176002 0.0064462478 -0.087179144 1.2171347
68000 0.92374901 0.71524627 -0.16232949 2.1953463 1.2280608
69000 1.0515117 1.1458523 0.10895185 -1.4734664 1.2214747
70000 1.0555502 1.076672 -0.042203866 0.57076567 1.19651
71000 0.9770682 1.180182 -0.13504139 1.8263016 1.1565664
72000 1.0086134 1.022067 -0.037398667 0.50578009 1.1850636
73000 1.0162758 1.120033 -0.059765955 0.8082756 1.1911215
74000 0.99405946 0.89203552 -0.24842296 3.3596755 1.1878296
75000 0.98750361 0.94382542 -0.22651557 3.0633996 1.185964
76000 1.0464263 1.2902475 -0.054604453 0.73847137 1.1830982
77000 0.97443033 0.9748021 -0.0188378 0.25476266 1.1807479
78000 1.0458063 1.0029976 -0.073834161 0.99853421 1.1713126
79000 1.0144775 1.218542 0.062883654 -0.8504394 1.1810856
80000 1.0114425 0.86457858 0.0071905047 -0.097244484 1.1826166
81000 0.94134141 0.77988469 -0.12039379 1.6282073 1.1949499
82000 1.0043004 1.1044886 -0.071274637 0.96391918 1.1858594
83000 1.0183148 0.97315487 -0.17878927 2.4179486 1.1847614
84000 1.0089223 0.94988998 -0.14706747 1.9889425 1.186726
85000 0.99683237 1.1387674 -0.093287095 1.261616 1.1950365
86000 0.98703013 0.90123949 -0.071666603 0.96922013 1.1994887
87000 0.98715174 1.0031198 0.073329807 -0.99171332 1.2030095
88000 0.98802533 0.780636 -0.18839651 2.547877 1.206866
89000 0.98607737 1.0366379 -0.16016943 2.1661336 1.2122118
90000 1.0210319 1.0157699 -0.036734636 0.49679972 1.2136124
91000 1.0383205 1.0432409 -0.2294371 3.1029105 1.2119958
92000 1.0552856 1.2186718 -0.013410875 0.18136886 1.2082849
93000 1.0114907 1.075338 0.0035134444 -0.04751587 1.2094306
94000 0.94044675 1.054018 0.085446493 -1.1555795 1.203052
95000 1.0158089 0.97472916 -0.11967767 1.6185225 1.2030168
96000 1.020383 0.89405366 -0.14288077 1.9323215 1.2030977
97000 0.96955936 1.0480423 -0.11860582 1.6040268 1.2056096
98000 1.0091452 0.84288535 -0.1289184 1.7434942 1.1994042
99000 0.99665723 1.0303263 -0.02254625 0.3049158 1.194661
100000 0.94019285 0.98342349 -0.069073187 0.93414673 1.1935304
101000 1.0351616 1.0994068 -0.089112502 1.2051587 1.1778161
102000 0.94550389 1.0840839 -0.093572091 1.2654702 1.1855211
103000 1.0384124 1.0513178 -0.053925313 0.72928668 1.1787243
104000 1.0561611 0.87476291 -0.13807613 1.8673434 1.1807725
105000 1.0046808 0.95999328 0.015725114 -0.21266665 1.1820494
Loop time of 13.826 on 1 procs for 50000 steps with 800 atoms
Pair time (%) = 5.72616 (41.4159)
Neigh time (%) = 3.64084 (26.3333)
Comm time (%) = 0.359706 (2.60167)
Outpt time (%) = 0.0011127 (0.00804788)
Other time (%) = 4.09817 (29.6411)
Nlocal: 800 ave 800 max 800 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 264 ave 264 max 264 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 5616 ave 5616 max 5616 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 5616
Ave neighs/atom = 7.02
Neighbor list builds = 12198
Dangerous builds = 0

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examples/VISCOSITY/log.wall.2d.12Sep13
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LAMMPS (10 Sep 2013)
# sample LAMMPS input script for viscosity of 2d LJ liquid
# use shearing wall, thermostat via fix langevin
# settings
variable x equal 20
variable y equal 20
variable ylo equal -2.5
variable yhi equal 23
variable rho equal 0.6
variable t equal 1.0
variable rc equal 2.5
variable srate equal 2.7
# problem setup
units lj
dimension 2
atom_style atomic
neigh_modify delay 0 every 1
lattice sq2 ${rho}
lattice sq2 0.5999999999999999778
Lattice spacing in x,y,z = 1.82574 1.82574 1.82574
region simbox block 0 $x ${ylo} ${yhi} -0.1 0.1
region simbox block 0 20 ${ylo} ${yhi} -0.1 0.1
region simbox block 0 20 -2.5 ${yhi} -0.1 0.1
region simbox block 0 20 -2.5 23 -0.1 0.1
create_box 3 simbox
Created orthogonal box = (0 -4.56435 -0.182574) to (36.5148 41.9921 0.182574)
1 by 1 by 1 MPI processor grid
create_atoms 1 box
Created 1020 atoms
mass * 1.0
pair_style lj/cut ${rc}
pair_style lj/cut 2.5
pair_coeff * * 1 1
region lower block INF INF INF 0.0 INF INF
region upper block INF INF $y INF INF INF
region upper block INF INF 20 INF INF INF
group lower region lower
120 atoms in group lower
group upper region upper
120 atoms in group upper
set group lower type 2
120 settings made for type
set group upper type 3
120 settings made for type
group wall union lower upper
240 atoms in group wall
group flow subtract all wall
780 atoms in group flow
velocity flow create $t 97287
velocity flow create 1 97287
velocity upper set ${srate} 0.0 0.0 units box
velocity upper set 2.7000000000000001776 0.0 0.0 units box
compute thermal flow temp/partial 0 1 0
compute flow flow temp
fix 1 all nve
fix 2 flow langevin $t $t 0.1 498094
fix 2 flow langevin 1 $t 0.1 498094
fix 2 flow langevin 1 1 0.1 498094
fix_modify 2 temp thermal
fix 3 wall setforce 0.0 0.0 0.0
fix 4 flow ave/spatial 20 500 10000 y center 0.05 vx units reduced file profile.wall.2d
fix 5 all enforce2d
# equilibration run
variable ybox equal $y*ylat
variable ybox equal 20*ylat
compute tilt flow temp/ramp vx 0 ${srate} y 0 ${ybox} units box
compute tilt flow temp/ramp vx 0 2.7000000000000001776 y 0 ${ybox} units box
compute tilt flow temp/ramp vx 0 2.7000000000000001776 y 0 36.514837167011073404 units box
thermo 1000
thermo_style custom step temp c_tilt epair etotal press pxy
run 20000
Memory usage per processor = 2.07358 Mbytes
Step Temp tilt E_pair TotEng Press Pxy
0 1.1937193 2.1893943 -1.4419854 -0.24943634 -0.78936698 0.014349737
1000 1.3454512 1.9300306 -1.5968842 -0.25275207 0.66766599 -0.14162185
2000 1.4039236 1.7347077 -1.5342253 -0.13167808 1.0083521 0.018815371
3000 1.3819158 1.5842676 -1.524631 -0.14406998 0.97986119 -0.20808108
4000 1.4881542 1.5610517 -1.5931464 -0.10645124 0.62306586 -0.033136726
5000 1.5698331 1.5343155 -1.4364232 0.13187076 1.5429086 0.04099089
6000 1.5016907 1.3826377 -1.5745056 -0.074287159 0.89913208 -0.17399314
7000 1.5675532 1.3910161 -1.5675986 -0.0015822389 0.88703243 -0.024467694
8000 1.5310724 1.2722437 -1.5156796 0.01389173 1.1371195 -0.16555072
9000 1.6032459 1.2470143 -1.5962343 0.0054397805 0.77091045 -0.086815594
10000 1.6039245 1.2027956 -1.4895158 0.11283619 1.3679611 0.11825916
11000 1.6678981 1.2385666 -1.5499806 0.11628229 1.0490591 0.0051108128
12000 1.6356227 1.1497443 -1.5538343 0.080184906 1.0649052 0.040263125
13000 1.7271885 1.2038792 -1.4858355 0.23965967 1.4062221 -0.26024536
14000 1.7125742 1.1453219 -1.5872938 0.12360137 0.88981816 -0.09475299
15000 1.697457 1.1240109 -1.4765483 0.21924452 1.3295682 0.071859191
16000 1.7020133 1.0993042 -1.5531753 0.14716935 1.0382104 -0.036836887
17000 1.776422 1.1390987 -1.5823549 0.19232551 1.0805974 0.10662874
18000 1.7459818 1.0439137 -1.5078975 0.23637253 1.313287 -0.082282891
19000 1.838868 1.1156637 -1.5844104 0.25265482 1.0841384 -0.10556118
20000 1.7992553 1.0250579 -1.5002936 0.29719771 1.3325389 0.16740981
Loop time of 5.02844 on 1 procs for 20000 steps with 1020 atoms
Pair time (%) = 2.58723 (51.4519)
Neigh time (%) = 0.77584 (15.429)
Comm time (%) = 0.099901 (1.98672)
Outpt time (%) = 0.000553131 (0.011)
Other time (%) = 1.56492 (31.1213)
Nlocal: 1020 ave 1020 max 1020 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 323 ave 323 max 323 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 7032 ave 7032 max 7032 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 7032
Ave neighs/atom = 6.89412
Neighbor list builds = 3072
Dangerous builds = 0
# data gathering run
variable visc equal -pxy/(v_srate/ly)
fix vave all ave/time 1000 1 1000 v_visc ave running
thermo_style custom step temp pxy v_visc f_vave
thermo_modify temp tilt
WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:438)
#dump 1 all custom 1000 dump.wall.2d id type x y z
run 50000
Memory usage per processor = 2.11173 Mbytes
Step Temp Pxy visc vave
20000 1.0250579 0.18425325 -3.1771004 -3.1771004
21000 1.032232 -0.011301665 0.19487594 -1.4911123
22000 1.0813633 -0.11758517 2.0275349 -0.31822987
23000 1.0220607 -0.25775248 4.4444563 0.87244166
24000 1.0210253 -0.068163349 1.1753486 0.93302306
25000 1.0177923 -0.021423703 0.36941143 0.83908779
26000 1.0382206 -0.21638355 3.731127 1.2522363
27000 1.0385115 -0.12852776 2.2162193 1.3727341
28000 1.0003333 -0.15923771 2.7457545 1.5252919
29000 1.0135986 0.022866973 -0.3942979 1.333333
30000 1.0194233 0.063159972 -1.0890748 1.1131141
31000 1.0514567 -0.2541318 4.3820244 1.3855233
32000 1.0285306 -0.054192652 0.93445026 1.3508253
33000 1.0071874 0.01731204 -0.29851354 1.2330154
34000 1.0322195 -0.0049804328 0.085878187 1.1565396
35000 1.0173715 0.14221616 -2.45225 0.93099026
36000 1.0409851 -0.23434525 4.0408426 1.1139228
37000 1.0664089 -0.027817311 0.47965716 1.0786858
38000 0.99623633 0.11484829 -1.9803425 0.91768428
39000 1.0449413 -0.023397198 0.40344064 0.8919721
40000 0.9563429 0.0041168584 -0.070987474 0.84611688
41000 1.0382254 -0.33271224 5.7369962 1.0684296
42000 1.0321466 0.031491943 -0.54301928 0.99836659
43000 1.0350994 -0.10776809 1.8582579 1.0341954
44000 1.0488543 -0.12171179 2.0986907 1.0767752
45000 0.96826694 0.061744254 -1.0646634 0.99441218
46000 1.0756992 -0.16891801 2.912673 1.0654589
47000 1.029474 -0.029124844 0.50220311 1.0453426
48000 1.0457638 0.23801238 -4.1040754 0.86777646
49000 1.016492 -0.058257033 1.0045329 0.87233501
50000 1.0220214 -0.11109438 1.9156134 0.90598915
51000 1.0346746 -0.19761354 3.4074736 0.98416054
52000 1.0209176 -0.017517632 0.30205859 0.96349078
53000 0.93831183 0.069226265 -1.1936766 0.90004468
54000 0.97965871 -0.090969867 1.5686041 0.91914638
55000 1.0079917 0.035017794 -0.60381594 0.87684187
56000 1.0115963 -0.22451618 3.8713589 0.95777476
57000 1.017181 -0.10151542 1.7504423 0.97863444
58000 0.99997602 0.095913805 -1.653853 0.91113476
59000 1.0264522 -0.14591873 2.5160939 0.95125874
60000 0.96275934 -0.031236122 0.53860812 0.94119409
61000 1.0350612 -0.16189857 2.7916362 0.98525223
62000 1.0187115 -0.072384719 1.2481382 0.99136586
63000 1.0180989 0.16057484 -2.7688109 0.9059073
64000 0.94578895 -0.12881896 2.2212405 0.93513692
65000 1.0563618 -0.011446086 0.19736621 0.91909843
66000 1.0213837 -0.20130056 3.4710492 0.97339525
67000 1.0426376 -0.053212874 0.91755585 0.97223193
68000 0.96934378 0.1068193 -1.8418977 0.91480072
69000 1.0618645 -0.10864818 1.8734334 0.93397337
70000 0.97359099 -0.090976899 1.5687254 0.94641949
Loop time of 12.7119 on 1 procs for 50000 steps with 1020 atoms
Pair time (%) = 6.47588 (50.9434)
Neigh time (%) = 2.05525 (16.1679)
Comm time (%) = 0.257193 (2.02324)
Outpt time (%) = 0.000914574 (0.00719461)
Other time (%) = 3.92268 (30.8583)
Nlocal: 1020 ave 1020 max 1020 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 320 ave 320 max 320 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 7007 ave 7007 max 7007 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 7007
Ave neighs/atom = 6.86961
Neighbor list builds = 8152
Dangerous builds = 0

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examples/VISCOSITY/profile.gk.2d.12Sep13
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examples/VISCOSITY/profile.mp.2d.12Sep13
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# Spatial-averaged data for fix 4 and group all
# Timestep Number-of-bins
# Bin Coord Ncount vx
10000 20
1 0.025 10.836 -0.399077
2 0.075 10.604 -0.276506
3 0.125 9.964 -0.130358
4 0.175 9.836 0.0298659
5 0.225 9.996 0.261705
6 0.275 9.904 0.400308
7 0.325 10.124 0.488539
8 0.375 10.364 0.494559
9 0.425 9.492 0.719012
10 0.475 9.76 0.752356
11 0.525 10.048 0.825834
12 0.575 9.948 0.943998
13 0.625 10.152 0.971781
14 0.675 9.456 1.19033
15 0.725 9.648 1.34059
16 0.775 10.048 1.47217
17 0.825 10.296 1.68986
18 0.875 9.808 1.9305
19 0.925 9.672 2.03366
20 0.975 10.044 2.16562
15000 20
1 0.025 10.688 -0.147207
2 0.075 9.652 0.0873591
3 0.125 9.628 0.280867
4 0.175 10.024 0.469866
5 0.225 9.448 0.531886
6 0.275 9.14 0.680575
7 0.325 9.376 0.612824
8 0.375 10.172 0.792848
9 0.425 10.516 0.881513
10 0.475 9.912 0.971669
11 0.525 9.684 1.03514
12 0.575 10.52 1.1952
13 0.625 10.288 1.40896
14 0.675 10.084 1.64886
15 0.725 9.648 1.8295
16 0.775 9.784 1.91017
17 0.825 9.992 2.06543
18 0.875 11 2.24571
19 0.925 10.188 2.35937
20 0.975 10.256 2.37847
20000 20
1 0.025 9.672 0.0416446
2 0.075 10.236 0.118236
3 0.125 10.076 0.26902
4 0.175 10.336 0.302131
5 0.225 10.524 0.575715
6 0.275 9.84 0.674713
7 0.325 9.844 0.718671
8 0.375 9.676 0.912894
9 0.425 10.044 1.13083
10 0.475 9.852 1.33352
11 0.525 10.184 1.40221
12 0.575 9.532 1.42077
13 0.625 9.52 1.5653
14 0.675 9.788 1.68355
15 0.725 10.252 1.85688
16 0.775 10.092 2.06764
17 0.825 10.228 2.3009
18 0.875 10.064 2.44151
19 0.925 9.836 2.60079
20 0.975 10.404 2.64873
25000 20
1 0.025 9.852 0.106919
2 0.075 10.056 0.23376
3 0.125 10.1 0.379155
4 0.175 10.376 0.393647
5 0.225 9.8 0.699869
6 0.275 9.472 0.833219
7 0.325 9.86 0.988274
8 0.375 9.892 1.05465
9 0.425 9.788 1.11887
10 0.475 9.62 1.32493
11 0.525 9.86 1.45746
12 0.575 10.412 1.53576
13 0.625 10.3 1.63807
14 0.675 9.74 1.79099
15 0.725 10.124 1.89354
16 0.775 10.312 1.96137
17 0.825 10.264 2.05814
18 0.875 9.776 2.32684
19 0.925 9.972 2.53848
20 0.975 10.424 2.69685
30000 20
1 0.025 10.048 0.172813
2 0.075 9.684 0.356647
3 0.125 9.98 0.452895
4 0.175 10.112 0.582831
5 0.225 10.116 0.71164
6 0.275 10.496 0.743878
7 0.325 10.332 0.807818
8 0.375 9.976 0.954629
9 0.425 10.32 1.08254
10 0.475 10.648 1.16002
11 0.525 9.832 1.32623
12 0.575 10.056 1.49175
13 0.625 10.568 1.70444
14 0.675 10.36 1.87682
15 0.725 10.216 1.97924
16 0.775 9.12 2.17082
17 0.825 9.472 2.31171
18 0.875 9.432 2.40879
19 0.925 9.448 2.53724
20 0.975 9.784 2.65507
35000 20
1 0.025 9.588 -0.0114268
2 0.075 9.812 0.114213
3 0.125 10.08 0.282166
4 0.175 10.124 0.450565
5 0.225 9.668 0.705763
6 0.275 9.756 0.867642
7 0.325 9.968 0.986781
8 0.375 9.532 1.07783
9 0.425 11.088 1.17538
10 0.475 10.456 1.40082
11 0.525 10.208 1.44325
12 0.575 10.224 1.54708
13 0.625 9.86 1.6613
14 0.675 10.1 1.8855
15 0.725 10.096 1.95418
16 0.775 10.448 2.07056
17 0.825 9.764 2.27726
18 0.875 9.768 2.32192
19 0.925 9.676 2.47963
20 0.975 9.784 2.65114
40000 20
1 0.025 9.624 0.152642
2 0.075 10.044 0.218002
3 0.125 10.32 0.358313
4 0.175 10.348 0.50152
5 0.225 10.156 0.611495
6 0.275 10.144 0.783387
7 0.325 9.96 0.827894
8 0.375 10.02 0.961532
9 0.425 10.16 1.08364
10 0.475 9.928 1.2275
11 0.525 10.472 1.39092
12 0.575 9.952 1.58312
13 0.625 9.884 1.69697
14 0.675 10.084 1.9051
15 0.725 9.876 2.05135
16 0.775 9.548 2.21427
17 0.825 9.224 2.27886
18 0.875 9.724 2.38617
19 0.925 10.416 2.5552
20 0.975 10.116 2.6586
45000 20
1 0.025 9.852 0.064076
2 0.075 10.544 0.27608
3 0.125 10.056 0.370338
4 0.175 10.1 0.447789
5 0.225 10.312 0.68213
6 0.275 10.272 0.818446
7 0.325 9.68 0.877234
8 0.375 9.276 0.964759
9 0.425 9.852 1.13362
10 0.475 9.772 1.27636
11 0.525 9.78 1.34655
12 0.575 9.784 1.48875
13 0.625 10.312 1.68858
14 0.675 9.796 1.8282
15 0.725 9.848 2.01614
16 0.775 9.968 2.08428
17 0.825 10.108 2.17801
18 0.875 10.468 2.37903
19 0.925 10.152 2.57022
20 0.975 10.068 2.64858
50000 20
1 0.025 10.124 0.141154
2 0.075 10.3 0.2052
3 0.125 10.28 0.33759
4 0.175 10.14 0.560276
5 0.225 9.444 0.643924
6 0.275 9.752 0.697958
7 0.325 9.34 0.747618
8 0.375 9.748 0.980334
9 0.425 9.284 1.20174
10 0.475 10.056 1.31966
11 0.525 10.792 1.45472
12 0.575 10.464 1.55569
13 0.625 9.608 1.66609
14 0.675 9.864 1.6636
15 0.725 9.616 1.93523
16 0.775 9.856 2.11561
17 0.825 10.532 2.1773
18 0.875 10.432 2.35983
19 0.925 10.04 2.56921
20 0.975 10.328 2.67809
55000 20
1 0.025 9.988 0.0793328
2 0.075 9.556 0.194601
3 0.125 9.66 0.375439
4 0.175 9.612 0.455153
5 0.225 9.852 0.583524
6 0.275 9.664 0.686215
7 0.325 10.088 0.849693
8 0.375 10.128 0.92951
9 0.425 10.724 1.04653
10 0.475 10.392 1.2107
11 0.525 9.948 1.35153
12 0.575 10.084 1.52836
13 0.625 9.916 1.70397
14 0.675 9.964 1.82689
15 0.725 10.316 2.09441
16 0.775 9.944 2.24536
17 0.825 10.784 2.34225
18 0.875 10.088 2.44322
19 0.925 9.636 2.48491
20 0.975 9.656 2.55414
60000 20
1 0.025 9.96 0.047115
2 0.075 10.26 0.212481
3 0.125 10.268 0.351187
4 0.175 10.248 0.55909
5 0.225 9.424 0.712023
6 0.275 9.656 0.845879
7 0.325 10.188 0.936569
8 0.375 10.152 1.00841
9 0.425 9.868 1.17115
10 0.475 9.94 1.32462
11 0.525 9.932 1.41957
12 0.575 10.284 1.5691
13 0.625 10.384 1.73107
14 0.675 10.128 1.83117
15 0.725 9.94 1.97419
16 0.775 9.98 1.98431
17 0.825 10.432 2.0473
18 0.875 9.488 2.27662
19 0.925 9.672 2.41164
20 0.975 9.796 2.6035
65000 20
1 0.025 9.74 0.0899601
2 0.075 9.532 0.311245
3 0.125 10.08 0.369908
4 0.175 10.084 0.542591
5 0.225 10.492 0.635404
6 0.275 9.764 0.87502
7 0.325 9.892 0.960343
8 0.375 10.444 0.995971
9 0.425 10.32 1.07926
10 0.475 10.064 1.26734
11 0.525 9.328 1.44599
12 0.575 10.076 1.50308
13 0.625 10.364 1.67151
14 0.675 10.24 1.75996
15 0.725 9.864 1.97691
16 0.775 10.628 2.02706
17 0.825 9.592 2.16103
18 0.875 9.956 2.2777
19 0.925 10.08 2.46948
20 0.975 9.46 2.6069
70000 20
1 0.025 9.976 0.0147053
2 0.075 9.104 0.177408
3 0.125 9.876 0.334736
4 0.175 9.108 0.431367
5 0.225 9.628 0.430401
6 0.275 9.8 0.705149
7 0.325 9.984 0.81309
8 0.375 9.548 1.14183
9 0.425 9.92 1.24921
10 0.475 10.168 1.36408
11 0.525 9.672 1.51903
12 0.575 9.928 1.58713
13 0.625 10.644 1.80895
14 0.675 10.36 1.89924
15 0.725 11.2 1.95066
16 0.775 10.432 2.0529
17 0.825 10.556 2.16293
18 0.875 10.288 2.33999
19 0.925 10.024 2.46666
20 0.975 9.784 2.48512
75000 20
1 0.025 11.068 -0.0794288
2 0.075 9.36 0.00437318
3 0.125 9.912 0.209129
4 0.175 9.852 0.371685
5 0.225 9.748 0.61405
6 0.275 9.42 0.84766
7 0.325 9.436 1.04793
8 0.375 9.448 1.18468
9 0.425 9.684 1.30239
10 0.475 10.336 1.32691
11 0.525 9.98 1.45044
12 0.575 9.564 1.54959
13 0.625 9.948 1.65904
14 0.675 10.144 1.84151
15 0.725 10.828 1.97182
16 0.775 10.44 2.18145
17 0.825 10 2.26817
18 0.875 10.032 2.33792
19 0.925 10.872 2.44723
20 0.975 9.928 2.51081
80000 20
1 0.025 10.404 0.144425
2 0.075 9.8 0.209658
3 0.125 9.884 0.368581
4 0.175 9.856 0.497307
5 0.225 9.672 0.656497
6 0.275 9.596 0.76955
7 0.325 9.26 0.905718
8 0.375 9.24 0.994601
9 0.425 10.112 1.09254
10 0.475 10.08 1.30981
11 0.525 10.248 1.50662
12 0.575 9.984 1.65788
13 0.625 10.196 1.65357
14 0.675 10.38 1.8222
15 0.725 10.54 1.94923
16 0.775 10.128 2.03795
17 0.825 9.964 2.06985
18 0.875 10.344 2.24552
19 0.925 10.324 2.47268
20 0.975 9.988 2.65924

66
examples/VISCOSITY/profile.wall.2d.12Sep13
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@ -1,66 +0,0 @@
# Spatial-averaged data for fix 4 and group flow
# Timestep Number-of-bins
# Bin Coord Ncount vx
10000 20
1 0.025 0 0
2 0.075 0 0
3 0.125 44.736 0.0137168
4 0.175 52.768 0.000823768
5 0.225 52.386 -0.0464089
6 0.275 50.08 -0.0171689
7 0.325 50.766 0.0646337
8 0.375 49.926 0.0236193
9 0.425 49.936 0.00902389
10 0.475 48.83 0.0831392
11 0.525 51.634 0.207552
12 0.575 51.838 0.304933
13 0.625 51.478 0.440003
14 0.675 51.064 0.664912
15 0.725 51.7 0.965185
16 0.775 50.696 1.33011
17 0.825 50.158 1.91659
18 0.875 22.004 2.48907
19 0.925 0 0
20 0.975 0 0
20000 20
1 0.025 0 0
2 0.075 0 0
3 0.125 46.916 0.00038885
4 0.175 51.466 0.00426006
5 0.225 51.59 0.0437146
6 0.275 50.992 0.146071
7 0.325 49.362 0.189165
8 0.375 50.15 0.314185
9 0.425 50.588 0.416247
10 0.475 51.872 0.553248
11 0.525 52.706 0.721681
12 0.575 49.972 0.954591
13 0.625 49.772 1.22897
14 0.675 50.346 1.4828
15 0.725 50.27 1.67461
16 0.775 50.746 1.97176
17 0.825 49.66 2.37006
18 0.875 23.592 2.61566
19 0.925 0 0
20 0.975 0 0
30000 20
1 0.025 0 0
2 0.075 0 0
3 0.125 45.556 0.0314223
4 0.175 53.314 0.158033
5 0.225 52.62 0.229134
6 0.275 53.248 0.334276
7 0.325 51.458 0.483216
8 0.375 50.16 0.566574
9 0.425 51.626 0.716339
10 0.475 50.308 0.906974
11 0.525 48.312 1.11176
12 0.575 47.028 1.28076
13 0.625 47.048 1.53105
14 0.675 47.104 1.80028
15 0.725 51.628 2.04613
16 0.775 52.696 2.28624
17 0.825 52.696 2.5213
18 0.875 25.198 2.67761
19 0.925 0 0
20 0.975 0 0