improve CNT exercie

lammpstutorials · Nov 18, 2023 · 807dd1a · 807dd1a
1 parent 2d2dba4
commit 807dd1a
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Showing 9 changed files with 47,008 additions and 16 deletions.
diff --git a/docs/inputs/level1/breaking-a-carbon-nanotube/breakable-bonds/input.lammps b/docs/inputs/level1/breaking-a-carbon-nanotube/breakable-bonds/input.lammps
@@ -33,9 +33,9 @@ fix myber carbon_mid temp/berendsen ${T} ${T} 0.1
 fix_modify myber temp Tmid
 
 fix mysf1 carbon_bot setforce 0 0 0
-fix mysf2 carbon_top setforce NULL NULL 0
+fix mysf2 carbon_top setforce 0 0 0
 velocity carbon_bot set 0 0 0
-velocity carbon_top set NULL NULL 0
+velocity carbon_top set 0 0 0
 
 variable L equal xcm(carbon_top,z)-xcm(carbon_bot,z)
 fix at1 all ave/time 10 10 100 v_L file output_cnt_length.dat
@@ -49,5 +49,5 @@ timestep 0.0005
 run 5000
 
 # 0.15 A/ps = 15 m/s
-velocity carbon_top set NULL NULL 0.15
+velocity carbon_top set 0 0 0.15
 run 280000