Einstein crystal

Dear all,

I am trying to check some TI calculations but I need to run Einstein crystal simulation. I have obtained the following error:

ERROR: All pair coeffs are not set (../pair.cpp:225)
Last command: run 1000

In part, it is expected because of the command line "pair_style zero 1.0 nocoeff". However, I think the fix spring/self should be used in the integrator.

Bellow, there is simple input which generates this error. Can anyone suggest a solution?

Thanks in advance,

Pedro

Dear all,

I am trying to check some TI calculations but I need to run Einstein
crystal simulation. I have obtained the following error:

ERROR: All pair coeffs are not set (../pair.cpp:225)
Last command: run 1000

In part, it is expected because of the command line "pair_style zero 1.0
nocoeff". However, I think the fix spring/self should be used in the
integrator.

Bellow, there is simple input which generates this error. Can anyone
suggest a solution?

​as the error message tells you, when setting a pair style, you *must* also
have a pair_coeff ​setting. try: pair_coeff * *

axel.