Unverified Commit 73401d02 authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
Browse files

convert a couple of inputs from using pair style reax to reax/c

parent eb39866e

examples/USER/qtb/methane_qbmsst/methane_qtb.mod

+3 −2
Original line number Diff line number Diff line
@@ -38,8 +38,9 @@ mass 2 1.007970 


## This part defines the reax pair potential in methane, force field coefficients are specified in "ffield.reax"

#Pair Potentials

pair_style		reax 10.0 1 1 1.0e-6

pair_coeff		* * ffield.reax 1 2

pair_style		reax/c NULL

pair_coeff		* * ffield.reax C H

fix                     0 all qeq/reax 1 0.0 10.0 1.0e-6 reax/c



#Neighbor Style

neighbor		2.5 bin

examples/USER/qtb/methane_qtb/methane_qtb.in

+3 −2
Original line number Diff line number Diff line
@@ -44,8 +44,9 @@ mass 2 1.007970 


## This part defines the reax pair potential in methane, force field coefficients are specified in "ffield.reax"

#Pair Potentials

pair_style		reax 10.0 1 1 1.0e-6

pair_coeff		* * ffield.reax 1 2

pair_style		reax/c NULL

pair_coeff		* * ffield.reax C H

fix                     0 all qeq/reax 1 0.0 10.0 1.0e-6 reax/c



#Neighbor Style

neighbor		2.5 bin

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