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[lammps-users] ERROR: All pair coeffs are not set (../pair.cpp:228)
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[lammps-users] ERROR: All pair coeffs are not set (../pair.cpp:228)


From: Sharma MD <sa.md.dtm@...24...>
Date: Fri, 14 Jul 2017 23:58:43 +0530

Hello all,
I am using hybrid pair style under which i am using two tersoff potentials. With first tersoff i am taking the interaction between Be and C and then switched off the interaction of C and C, which is given by the second tersoff potential. But the error is coming as all pair coeff are not set.

# There are three types of atoms Cu, Be and C. Cu:1-3, Be-4, C:5-7.

pair_style hybrid tersoff morse 2.5 eam

pair_coeff * * tersoff BeC.abop.tersoff NULL NULL NULL Be C C C
neigh_modify exclude type 5 5
neigh_modify exclude type 5 6
neigh_modify exclude type 5 7
neigh_modify exclude type 6 6
neigh_modify exclude type 6 7
neigh_modify exclude type 7 7
pair_coeff * * tersoff C.abop.tersoff NULL NULL NULL NULL C C C
pair_coeff 1*3 5*7 morse 0.087 5.14 2.05          
pair_coeff 1*3 1*3 eam Cu_u3.eam
pair_coeff 1*3 4 morse  2.14 5 2.065



# Kindly suggest the way to cater Be and C and then C-C interaction separately