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Commit ad9d870

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updated nanoshear tutorial
1 parent f419843 commit ad9d870

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17 files changed

+19519
-20205
lines changed

17 files changed

+19519
-20205
lines changed

‎level2/nanosheared-electrolyte/equilibration/input.lammps‎

Lines changed: 4 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -21,13 +21,14 @@
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# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠻⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣦⡀⠀⠈⠉⠛⠛⠓⠚⠋⠉⠁⠀⠀⠀⠀⠀⠀⠀
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# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠙⠻⠿⣿⣿⣿⣿⡿⠟⠋⠀
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24-
boundary p p p
24+
boundary p p f
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units real
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atom_style full
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bond_style harmonic
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angle_style harmonic
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pair_style lj/cut/tip4p/long 1 2 1 1 0.1546 12.0
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kspace_style pppm/tip4p 1.0e-4
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kspace_modify slab 3.0
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read_data ../minimization/system.data
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@@ -48,5 +49,6 @@ variable deltaz equal v_walltopz-v_wallbotz
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fix myat1 all ave/time 100 1 100 v_deltaz file interwall_distance.dat
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run 30000
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write_data system.data
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write_data system.data nocoeff
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