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make use of new dump_modify in examples

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Jacob Gissinger
2024-05-21 19:40:28 -04:00
parent 3b091c0bd4
commit d42b8ebb6c
6 changed files with 6 additions and 0 deletions
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examples/PACKAGES/reaction/tiny_polystyrene/in.tiny_polystyrene.stabilized
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@ -41,6 +41,7 @@ molecule mol6 chain_chain_reacted.molecule_template
thermo 100
# dump 1 all xyz 5 test_vis.xyz
# dump_modify 1 types labels
fix rxn1 all bond/react stabilization yes statted_grp .03 &
react rxn1 all 1 0 3.0 mol1 mol2 2styrene_map stabilize_steps 100 &