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Questions related from Omkar Tripathy
I have successfully run a NVE simulation by using core shell potential and I use the commands compute CSequ all temp/cs cores shells thermo_modify temp CSequ fix thermoberendsen all...
08 August 2016 4,571 2 View
Can anybody please explain what is the difference between self diffusion coefficient and tracer diffusion coefficient? How these quantities are related to the chemical diffusion? what is...
06 June 2016 9,138 4 View
Hello If someone can answer this question about LAMMPS. I have calculated the pe/atom using the command compute ID all pe/atom. Then I add all the PE of individual atom I have obtained in one...
03 March 2016 5,715 6 View
Can any LAMMPS user help me to find out What is the correct kspace_style for pair_style buck/coul/long 11.0 11.0. Now I am using the below mention kspace_style. Is this the correct format or I...
03 March 2016 6,296 4 View
LAMMPS : Potential energy of entire system is coming almost two time as the sum of potential energy of individual atoms in the system calculated by compute 3 all pe/atom compute 4 all reduce sum...
03 March 2016 3,598 8 View
Is there any relation between Thermodynamics enhancement factor(TEF) and Havens ratio(HR) ? if yes then how to calculate the HR if TEF is given ?
12 December 2015 2,812 1 View
Can any body clarify me, the diffusion coefficient calculated using the slope of mean square displacement(MSD) curve is the tracer diffusion coefficient or the chemical diffusion coefficient. I am...
08 August 2015 631 3 View
