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lammps/unittest/force-styles/tests/spce.sw
Axel Kohlmeyer 217b070204 add unit tests
2022-06-01 15:31:49 -04:00

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XML

type
type
type
1 #epsilon in kcal/mol
1 #sigma in dimensionless
3.7 # a in Ang
1.0 #lambda dimensionless
0.8 #gamma in Ang
0.0 #costheta0 dimensionless
0 #two body part A=0
0 #two body part B=0
0 #two body part p=0
0 #two body part q=0
0.0 # use the standard Stillinger-Weber cutoff
table_CG_CG_CG.txt
VOTCA
linear
1001