whitespace

examples/neb/in.neb.sivac

@@ -5,7 +5,7 @@ units           metal
 atom_style      atomic
 atom_modify     map array
 boundary        p p p
-atom_modify	sort 0 0.0
+atom_modify     sort 0 0.0
 
 # coordination number cutoff
 
@@ -45,7 +45,7 @@ group Si type 1
 group del id 300
 delete_atoms group del compress no
 group vacneigh id 174 175 301 304 306 331 337
- 
+
 # choose potential
 
 pair_style      sw
@@ -53,26 +53,26 @@ pair_coeff * * Si.sw Si
 
 # set up neb run
 
-variable	u uloop 20
-
-# only output atoms near vacancy
-
+variable        u uloop 20
 
 # initial minimization to relax vacancy
 
 displace_atoms all random 0.1 0.1 0.1 123456
-minimize	1.0e-6 1.0e-4 1000 10000
+minimize        1.0e-6 1.0e-4 1000 10000
+
 reset_timestep  0
 
+# only output atoms near vacancy
+
 #dump events vacneigh custom 1000 dump.neb.sivac.$u id type x y z
 
-fix		1 all neb 1.0 
+fix             1 all neb 1.0
 
-thermo		100
+thermo          100
 
 # run NEB for 2000 steps or to force tolerance
 
 timestep        0.01
-min_style	quickmin
+min_style       quickmin
 
-neb		0.0 0.01 100 100 10 final final.sivac
+neb             0.0 0.01 100 100 10 final final.sivac