Dear lammps users.
my question about RDF.
how do i get g11,g12,g22 by rdf compute command. Usually if i use these command:
“compute myRDF all rdf 500
fix 4 all ave/time 1 10 100000 c_myRDF file tmp.rdf mode vector”
lammps give me 4 arrays. time step-r- g®- coordinate number.
my input file:
By adding “itype1 jtype1 itype2 jtype2 …” keywords to the compute rdf command.
Ray
I wrote this code:
compute myRDF all rdf 500 1 1 1 2 2 2
fix 4 all ave/time 1 10 100000 c_myRDF file tmp.rdf mode vector.
but give me error: Numeric index is out of bounds (…/force.cpp:666)
I wrote this code:
compute myRDF all rdf 500 1 1 1 2 2 2
fix 4 all ave/time 1 10 100000 c_myRDF file tmp.rdf mode vector.
but give me error: Numeric index is out of bounds (../force.cpp:666)
how can you compute an RDF between atoms of type 2, when your system
has only one type of atoms?
axel.
oh!!! this is a geart mistake. can i get parallel and perpendicular RDf in lammps?
oh!!! this is a geart mistake. can i get parallel and perpendicular RDf in
lammps?
what the hell are those? the rdf compute looks at pairs of points. how
can they have relative orientations?
axel.