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update bond/react examples

This commit is contained in:
jrgissing 2018-11-03 12:01:00 -06:00
parent f7aa01d74a
commit a37d718ed1
2 changed files with 2 additions and 2 deletions
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2
examples/USER/misc/bond_react/nylon,6-6_melt/in.large_nylon_melt
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@ -36,7 +36,7 @@ fix myrxns all bond/react stabilization yes statted_grp .03 &
react rxn2 all 1 0.0 5.0 mol3 mol4 rxn1_stp2_map
# stable at 800K
fix 1 statted_grp nvt temp 800 800 100
fix 1 statted_grp_REACT nvt temp 800 800 100
# in order to customize behavior of reacting atoms,
# you can use the internally created 'bond_react_MASTER_group', like so:

2
examples/USER/misc/bond_react/tiny_nylon/in.tiny_nylon
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@ -36,7 +36,7 @@ fix myrxns all bond/react stabilization yes statted_grp .03 &
react rxn1 all 1 0.0 2.9 mol1 mol2 rxn1_stp1_map &
react rxn2 all 1 0.0 5.0 mol3 mol4 rxn1_stp2_map
fix 1 statted_grp nvt temp 300 300 100
fix 1 statted_grp_REACT nvt temp 300 300 100
fix 4 bond_react_MASTER_group temp/rescale 1 300 300 10 1