22 lines
397 B
Plaintext
22 lines
397 B
Plaintext
# NOTE: This script can be modified for different pair styles
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# See in.elastic for more info.
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reset_timestep 0
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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 MD
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timestep ${timestep}
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fix 4 all nve
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if "${thermostat} == 1" then &
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"fix 5 all langevin ${temp} ${temp} ${tdamp} ${seed}"
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