Dear LAMMPS users,
I wrote a code for Lennard -Jones particle in a box with periodic boundaries(actives.in). After
NVE integration I should see some changes in the final configuration but I didnt.I faced the same
issue in my original research problem and so wrote this simple code to find out the mistake but
again the same issue occurs in this code. I changed the frequency in the DUMP statement
but still no changes. I have attached the visualisation by Ovito. Any suggestions on this?.
I am using lammps-29October20 stable version in Ubuntu 18.04 OS.
Regards,
Dr Vanitha
WOS A Research Fellow
actives.in (529 Bytes)
This seems to be more an issue with how you do your visualization. I see plenty of atoms moving around when I visualize your simulation.
You can also (much more easily) see that there changes in your system from the screen output where there are changes in temperature and potential and kinetic energy reported.
Step Temp PotEng KinEng TotEng
0 1 -0.12379959 1.4994534 1.3756538
100 1.1604478 -0.36099497 1.7400373 1.3790424
200 1.2790684 -0.54261053 1.9179034 1.3752928
300 1.3141983 -0.59839244 1.9705791 1.3721866
400 1.3368319 -0.63298174 2.004517 1.3715353
500 1.3318096 -0.62617892 1.9969864 1.3708075
600 1.3510532 -0.65668311 2.0258412 1.3691581
700 1.3597086 -0.67012917 2.0388196 1.3686905
800 1.3734223 -0.69088418 2.0593827 1.3684985
900 1.3885544 -0.71385681 2.0820725 1.3682157
1000 1.3729051 -0.69013318 2.0586071 1.3684739
1100 1.3607756 -0.67217991 2.0404195 1.3682396
1200 1.3802135 -0.70159088 2.0695658 1.3679749
1300 1.37453 -0.6928461 2.0610436 1.3681975
1400 1.3796448 -0.70026845 2.0687131 1.3684446
1500 1.3755446 -0.69489895 2.062565 1.367666
1600 1.3712618 -0.68840952 2.0561432 1.3677336
1700 1.3921041 -0.71962847 2.0873952 1.3677668
1800 1.3899841 -0.71724811 2.0842164 1.3669682
1900 1.3822249 -0.70555836 2.0725818 1.3670234
2000 1.3862733 -0.71115932 2.0786522 1.3674929
2100 1.3742519 -0.69375995 2.0606266 1.3668666
2200 1.3992346 -0.73037827 2.0980871 1.3677088
2300 1.386469 -0.71129379 2.0789456 1.3676518
2400 1.3804191 -0.70286963 2.069874 1.3670044
2500 1.3811638 -0.70312102 2.0709907 1.3678696
2600 1.3841291 -0.70829011 2.075437 1.3671469
2700 1.3975256 -0.7285197 2.0955244 1.3670047
2800 1.3850518 -0.70992129 2.0768206 1.3668993
2900 1.3828236 -0.70622088 2.0734795 1.3672586
3000 1.3754845 -0.69434584 2.0624748 1.368129
3100 1.3767736 -0.69645401 2.0644078 1.3679537
3200 1.3799631 -0.70168126 2.0691903 1.3675091
3300 1.37914 -0.70086368 2.067956 1.3670924
3400 1.3826785 -0.70697868 2.0732619 1.3662832
3500 1.3882201 -0.71572654 2.0815713 1.3658448
3600 1.3806061 -0.70303678 2.0701545 1.3671177
3700 1.3779466 -0.69830212 2.0661666 1.3678645
3800 1.3683012 -0.6835057 2.0517038 1.3681981
3900 1.3706748 -0.68690365 2.0552629 1.3683593
4000 1.3752663 -0.6947229 2.0621476 1.3674247
4100 1.3874044 -0.71329817 2.0803482 1.36705
4200 1.3788588 -0.70038241 2.0675345 1.367152
4300 1.383013 -0.70642432 2.0737636 1.3673392
4400 1.3801431 -0.7017362 2.0694602 1.367724
4500 1.3782463 -0.69892028 2.066616 1.3676957
4600 1.3882783 -0.71475849 2.0816585 1.3669
4700 1.3829407 -0.70640104 2.0736551 1.3672541
4800 1.385324 -0.71092594 2.0772287 1.3663028
4900 1.388262 -0.71555495 2.0816341 1.3660791
5000 1.3934705 -0.72293307 2.0894439 1.3665109
Loop time of 24.9308 on 1 procs for 5000 steps with 2744 atoms