Fix ss all ave/correlate
WebAug 30, 2016 · Dear LAMMPS users, I am working on the viscosity calculation in which I have a problem of integrating tensor components and writing output after “fix ave/correlate/long”. However, I do not have any problem while using “fix ave/correlate” command. I am using “lammps-30Jul16” version. Here below my input script, The below … http://muchong.com/t-10693612-1-pid-1
Fix ss all ave/correlate
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WebJul 16, 2014 · Hi,everybody I have recently confused about how a global vector is established and used by another command. Specifically, I doubt the code for viscosity calcualtion is incorrect. the relavent script is extracted from the manual (P89, 24 Jan 2013 version): viscosity calculation, switch to NVE if desired #unfix NVT #fix NVE all nve … WebApr 9, 2015 · hello dear i’m trying to simulate water-cu.i want to compute thermal conductivity kappa.this my input code.when it runs it shows this ERROR: Variable name for fix ave/correlate does not exist (…/fix_ave_correlate.cpp:215).does anybody know about this error? thanks regard atom_style full bond_style harmonic #hybrid harmonic …
Webfix nve all nve: #compute myKE all ke/atom: #compute myPE all pe/atom: #compute myStress all stress/atom virial: #compute jflux all heat/flux myKE myPE myStress: #fix ss all ave/correlate 5 20000 100000 vx vy vz type auto file j0jt.txt: dump lala all custom 1 v1.txt id type vx vy vz: WebApr 21, 2024 · echo both units real boundary p p p neigh_modify delay 2 every 1 timestep 1 atom_style full bond_style harmonic angle_style harmonic read_data solvate.data pair_style lj/charmm/coul/long 8 10 pair_coeff 1 1 0.0 0.0 pair_coeff 1 2 0.0 0.0 pair_coeff 2 2 0.1553 3.166 #O-O kspace_style pppm 1e-4 fix NVT all nvt temp 300.0 300.0 100 fix rigid all ...
Webfix nve all nve: #compute myKE all ke/atom: #compute myPE all pe/atom: #compute myStress all stress/atom virial: #compute jflux all heat/flux myKE myPE myStress: #fix ss all ave/correlate 5 20000 100000 vx vy vz type auto file j0jt.txt : dump lala all custom 1 v.txt id type vx vy vz:
Webfix 1 all ave/correlate 5 100 1000 c_myTemp file temp.correlate fix 1 all ave/correlate 1 50 10000 & c_thermo_press[1] c_thermo_press[2] c_thermo_press[3] & type upper ave …
WebOct 17, 2024 · Write an email addressed to [email protected] or [email protected] and state that you want to know your forgotten/lost … candlewood suites richmond-west an ihg hotelWebApr 27, 2024 · Lines like this: variable fluxX equal ArfluxX+CufluxX. are not correct syntax. Needs to be: variable fluxX equal v_ArfluxX+v_CufluxX. LAMMPS is trying to interpret ArfluxX as a thermo candlewood suites richardson txWebJan 22, 2014 · Dear all Please tell me what’s wrong with this problem, it is giving lost atom 10976 current 7422,i have tried every thing like, thermo_modify lost ignore tried dt **small to large,changed velocity ,**but got same, lost atom T will be 750 only dont have to change this value. Please put valuable suggestion, Thanks in advance Sample LAMMPS input script … fish served with a schmearWebave/correlate = style name of this fix command. Nevery = use input values every this many timesteps. Nrepeat = # of correlation time windows to accumulate. Nfreq = calculate … candlewood suites salt lake city airportWebApr 21, 2015 · hello dear this is my input script .should i use flux compensating. can anybody explain to me about flux compensator in my input script.i want to compute thermal conductivity and viscosity. thankyou very much variable T equal 298 variable V equal vol variable dt equal .02 #.00000000002 variable x equal 23.41 variable y equal 23.41 … candlewood suites redstone arsenal alabamaWebFeb 4, 2014 · Dear all. I am calculating viscosity for CuZr metallic glass at different temperature starting from 700- 1400, when i plot logeta vs 1000/T, i expect it to some what like super-Arrhenius ,but as from the output it doesn’t seems to happen, also this viscosity is of order 10^-3 pa.s (for normal alloy) althought it should be order of 10^12 (for glassy … fish sentence for kidsWebBut I am confused should I take the above AVE Values calculated and compare it with the correlation OR I have to square root these values (√0.50 = 0.7071; √0.47 = 0.6856; … candlewood suites redstone arsenal al