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some example input file tweaks

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Axel Kohlmeyer
2017-05-15 00:22:03 -04:00
parent 6e113c1eaf
commit df55a90ef6
2 changed files with 4 additions and 2 deletions
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5
examples/python/in.pair_python_hybrid
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@ -16,7 +16,7 @@ pair_coeff * * python lj-melt-potential.py lj NULL
pair_coeff * 2 lj/cut 1.0 1.0 pair_coeff * 2 lj/cut 1.0 1.0
neighbor 0.3 bin neighbor 0.3 bin
neigh_modify every 10 delay 0 check no neigh_modify every 20 delay 0 check no
fix 1 all nve fix 1 all nve
@ -51,10 +51,11 @@ pair_coeff * * python lj-melt-potential.py lj NULL
pair_coeff * 2 lj/cut 1.0 1.0 pair_coeff * 2 lj/cut 1.0 1.0
neighbor 0.3 bin neighbor 0.3 bin
neigh_modify every 10 delay 0 check no neigh_modify every 20 delay 0 check no
fix 1 all nve fix 1 all nve
thermo 50 thermo 50
run 250 run 250
shell rm hybrid.data hybrid.restart

1
examples/python/in.pair_python_melt
View File

@ -55,3 +55,4 @@ fix 1 all nve
thermo 50 thermo 50
run 250 run 250
shell rm melt.data melt.restart