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make bond/react examples more accurate

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This commit is contained in:
jrgissing
2023-02-11 23:38:55 -05:00
parent 7709dfa118
commit c0e147dc57
7 changed files with 21 additions and 0 deletions
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3
examples/PACKAGES/reaction/create_atoms_polystyrene/in.grow_styrene
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@ -16,6 +16,9 @@ dihedral_style class2
improper_style class2
special_bonds lj/coul 0 0 1
pair_modify tail yes mix sixthpower
variable T equal 530
read_data trimer.data &

3
examples/PACKAGES/reaction/nylon,6-6_melt/in.large_nylon_melt
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@ -18,6 +18,9 @@ dihedral_style class2
improper_style class2
special_bonds lj/coul 0 0 1
pair_modify tail yes mix sixthpower
read_data large_nylon_melt.data.gz &
extra/bond/per/atom 5 &
extra/angle/per/atom 15 &

3
examples/PACKAGES/reaction/tiny_epoxy/in.tiny_epoxy.stabilized
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@ -17,6 +17,9 @@ dihedral_style class2
improper_style class2
special_bonds lj/coul 0 0 1
pair_modify tail yes mix sixthpower
read_data tiny_epoxy.data
velocity all create 300.0 4928459 dist gaussian

3
examples/PACKAGES/reaction/tiny_nylon/in.tiny_nylon.stabilized
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@ -19,6 +19,9 @@ dihedral_style class2
improper_style class2
special_bonds lj/coul 0 0 1
pair_modify tail yes mix sixthpower
read_data tiny_nylon.data &
extra/bond/per/atom 5 &
extra/angle/per/atom 15 &

3
examples/PACKAGES/reaction/tiny_nylon/in.tiny_nylon.stabilized_variable_probability
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@ -19,6 +19,9 @@ dihedral_style class2
improper_style class2
special_bonds lj/coul 0 0 1
pair_modify tail yes mix sixthpower
read_data tiny_nylon.data &
extra/bond/per/atom 5 &
extra/angle/per/atom 15 &

3
examples/PACKAGES/reaction/tiny_nylon/in.tiny_nylon.unstabilized
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@ -19,6 +19,9 @@ dihedral_style class2
improper_style class2
special_bonds lj/coul 0 0 1
pair_modify tail yes mix sixthpower
read_data tiny_nylon.data &
extra/bond/per/atom 5 &
extra/angle/per/atom 15 &

3
examples/PACKAGES/reaction/tiny_polystyrene/in.tiny_polystyrene.stabilized
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@ -19,6 +19,9 @@ dihedral_style class2
improper_style class2
special_bonds lj/coul 0 0 1
pair_modify tail yes mix sixthpower
variable T equal 530
read_data tiny_polystyrene.data &