Hi all,
I intend to simulate 100 active brownian lj particles (ABP). For that i need to modify the existing lammps fix langevin source file. Now the problem I am facing is with the access to velocities of the individual particles and modifying them according to the ABP equation. Need some help to access the per atom velocities and its dependencies. I tried my best but couldn’t make out the dependencies properly.
Regards,
Jeet
Hi all,
I intend to simulate 100 active brownian lj particles (ABP). For that i need to modify the existing lammps fix langevin source file. Now the problem I am facing is with the access to velocities of the individual particles and modifying them according to the ABP equation. Need some help to access the per atom velocities and its dependencies. I tried my best but couldn’t make out the dependencies properly.
this is too vague a description. you have to give us more specific explanations of what you did, and what specific problems happened and particularly what you are talking about when you mention “dependencies”.
there are several places where the per-atom velocities are accessed in fix langevin, so there is plenty of code that you can learn from.
axel.