Dear Sir,
I am working on course grain bead spring model (fene)using lammps md simulator. But wall to end bead , wall to backbone bead I need to apply two types potentials. besides, end bead to end bead I have to apply another potential. So I have to apply five types of potentials in the same model. But using lammps, i can apply two types of potentias which is out of scope in lammps. So, i need to modify the code according to my purpose. How Can I modify and which functions and header files I have to modify. How I can I implement to get the results. Please help me about the matter.
Sincerely yours
Dr. Sankar
NTU, Singapore
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Dear Sir,
I am working on course grain bead spring model (fene)using lammps md simulator. But wall to end bead , wall to backbone bead I need to apply two types potentials. besides, end bead to end bead I have to apply another potential. So I have to apply five types of potentials in the same model. But using lammps, i can apply two types of potentias which is out of scope in lammps. So, i need to modify the code according to my purpose. How Can I modify and which functions and header files I have to modify. How I can I implement to get the results. Please help me about the matter.
two comments.
a) you are not very clear about what is a "type" of potential.
if it means different functional forms, then please explain
how those need to be different, if it refers to different parameters,
then i don't understand your statement that you are limited to
two types. please explain in more detail.
b) the lammps on-line documentation is very detailed about
how you can customize lammps by adding new functionality
as a pair/bond/angle/dihedral/whatever-style. which part of
that documentation is not clear or where exactly are you stuck?
axel.
I would check the pair_style hybrid command, also bond_style hybrid, etc.
LAMMPS will let you specify multiple potential interactions to the same
set of atoms.
Steve