Dear All:
I want to cut a model with armporous structure. The armporous model is get by melting and cooling. Then the cutting tools are created by creating atoms.
In the command “create_box N box”, N must be more than 2, as cutting tools and the armporous model are different. Potential must be provided before melting and cooling.
My question: Can the command “create_box N box” be changed while in different phase of simulation?
2011/3/22 Zhang Yan <[email protected]...>:
Dear All:
I want to cut a model with armporous structure. The armporous model is get
by melting and cooling. Then the cutting tools are created by creating
atoms.In the command "create_box N box", N must be more than 2, as cutting tools
and the armporous model are different. Potential must be provided before
melting and cooling.My question: Can the command "create_box N box" be changed while in
different phase of simulation?
create_box can only be called once, since it reserves memory that
cannot be changed afterwards.
but you can set N to any number you like. you'll have to define
what potentials are used for all N atom types, but you don't have
to define those atoms right away.
cheers,
axel.