Looking for opensource tool for ReaxFF simulation. If there is something other than paid software ADF please reply ?
LAMMPS i checked its implemented in a complicated way. Have u done any sort of simulation using LAMMPS.
As said before, LAMMPS has the ReaxFF force field ready.
I do not see how it is 'implemented in a complicated way'. The force field itself is complicated since it is a reactive one.
Can you try (at least) to have a look at the examples for ReaxFF which come ready to use in LAMMPS?
Dear Suryanarayanan,
I did some simulations in LAMMPS using ReaxFF, it worked fine. Maybe it is a bit harder to understand its input than that of ADF, but a couple of examples makes it clearer.
Sincerely
Oleg
If you are looking for an open source ReaxFF implementation, the one in LAMMPS is probably the best out there.
The ReaxFF module in the ADF Modeling Suite is indeed commercially licensed. The SCM team works a lot on improving usability & functionality -including graphical user interface support, which will make your life easier to set up and analyze your calculations.
So if you are not to familiar with command line and installing different tools and scripts, it is a trade-off between time investment (open source implementation) and money investment (licensed software). I understand that unfortunately nowadays less research budget is available for software, in which case you will need to invest more time to learn Linux, command line inputs and scripting etc.
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