Hello Everyone
I’m studying proton transport phenomena within the water-based system. Based on the references, I have come across about the two modules (i.e MSEVB, and RAPTOR), that we can merge or bridge with LAMMPS to simulate the same. I’m new to these modules and looking out the help in these modules. Could anyone of you help me in understanding or even getting these modules, as I’m unable to find them in LAMMPS modules.
Kindly share some information if possible.
Hello Everyone
I’m studying proton transport phenomena within the water-based system. Based on the references, I have come across about the two modules (i.e MSEVB, and RAPTOR), that we can merge or bridge with LAMMPS to simulate the same. I’m new to these modules and looking out the help in these modules. Could anyone of you help me in understanding or even getting these modules, as I’m unable to find them in LAMMPS modules.
since it is easy to extend LAMMPS, there are plenty of extensions around and not all authors contribute those back to the upstream code. very often those packages are code that was created by a graduate student or postdoc and then becomes unmaintained after they move on.
at any rate, there is very little, that the mailing list can do for you here. you need to contact the original author of those fixes or - failing that - the adviser/supervisor/PI of that person, since you have seen references in publications, you should be able track this person down through the corresponding author information or affiliation of the author(s) of the publications.
axel.
Hi Sidharth,
You’ll want to contact Greg Voth at U. Chicago to discuss use of the RAPTOR add-on for MS-EVB simulations in LAMMPS.
chris
Thanks, I will do that.