Error : Pair hybrid sub-style is not used

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1

hello users,

I am trying to simulate the CNT with hybrid pair_style. I am using only one type of atom.

When i run the simulation i am getting the following error

ERROR: Pair hybrid sub-style is not used (…/pair_hybrid.cpp:417)

here is the part of my input file.

pair_style hybrid tersoff lj/cut 3.4
pair_coeff * * tersoff SiC.tersoff C
pair_coeff * * lj/cut 0.002843732471143 3.4

2

If you use hybrid instead of hybrid/overlay, then
you can only assign one sub-style per type pair,
Thus your 2nd pair coeff command overrides the
first one and you are not using the tersoff sub style.

Steve

3

Thanks for your reply steve.

Then how i should define the pair_style to use both tersoff and lj/cut.

4

pair_style hybrid/overlay - see the doc page

Steve

5

As you said if i use hydid/overlay the first pair_style
will be over ride second pari_style.

But in my case i want to use both the pair_style together.

6

As you said if i use hydid/overlay the first pair_style
will be over ride second pari_style.

No, it will not. Please re-read the documentation.

7

There is a big difference between
hybrid and hybrid/overlay (see the doc page).
I think you want the latter.

Steve