f9decb8290
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4124 f3b2605a-c512-4ea7-a41b-209d697bcdaa
21 lines
457 B
Modula-2
21 lines
457 B
Modula-2
# NOTE: This script can be modified for different pair styles
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# See in.elastic for more info.
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#
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# Choose potential
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pair_style sw
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pair_coeff * * si.sw Si
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# Setup neighbor style
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neighbor 1.0 nsq
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neigh_modify once no every 1 delay 0 check yes
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# Setup minimization style
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min_style cg
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min_modify dmax ${dmax} line quadratic
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# Setup output
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thermo 1
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thermo_style custom step temp pe press pxx pyy pzz pxy pxz pyz lx ly lz vol
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thermo_modify norm no
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