diff --git a/bench/Cu_u3.eam b/bench/Cu_u3.eam index 481e197b73951984fe94c5cac725bea3f4196d4e..dcb77844a19128f445f97f55535c9cc09157657c 100644 --- a/bench/Cu_u3.eam +++ b/bench/Cu_u3.eam @@ -1,4 +1,4 @@ -Cu functions (universal 3) +DATE: 2007-06-11 CONTRIBUTOR: Stephen Foiles, foiles@sandia.gov CITATION: Foiles et al, Phys Rev B, 33, 7983 (1986) COMMENT: Cu functions (universal 3), SM Foiles et al, PRB, 33, 7983 (1986) 29 63.550 3.6150 FCC 500 5.0100200400801306e-04 500 1.0000000000000009e-02 4.9499999999999886e+00 0. -3.1561636903424350e-01 -5.2324876182494506e-01 -6.9740831416804383e-01 -8.5202525457518519e-01 diff --git a/bench/POTENTIALS/in.dpd b/bench/POTENTIALS/in.dpd index 4ad0ef70bccdb4ccf63ee1f9a4bcae034cd0a046..1c2422c214a1c5b29bf12ddd5e1bac95c10d76a5 100644 --- a/bench/POTENTIALS/in.dpd +++ b/bench/POTENTIALS/in.dpd @@ -2,7 +2,7 @@ units lj atom_style atomic -communicate single vel yes +comm_modify mode single vel yes lattice fcc 3.0 region box block 0 20 0 20 0 20