Unverified Commit 1017b76c authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
Browse files

reformat pair_coeff section in buck test for better readability

parent 12924346
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+17 −12
Original line number Diff line number Diff line
---
lammps_version: 21 Jul 2020
date_generated: Fri Jul 31 11:39:43 202
date_generated: Fri Jul 31 12:07:29 202
epsilon: 5e-14
prerequisites: ! |
  atom full
@@ -10,17 +10,22 @@ post_commands: ! |
  pair_modify mix arithmetic
input_file: in.fourmol
pair_style: buck 8.0
pair_coeff: ! "1 1 170339.505032359 0.166879344173798 13.642356513989 \n1 2 85988.1490021027
  0.116722557424471 0.80085535265993 \n1 3 169866.420176425 0.190286500706475 29.9623467274028
  \n1 4 147160.913151695 0.186942613268455 23.3320434749744 \n1 5 147160.913151695
  0.186942613268455 23.3320434749744 \n2 2 43972.4676803832 0.0665738276248451 0.0138732735747516
  \n2 3 85535.686235147 0.140128612516736 2.39406114840173 \n2 4 45975.8370021332
  0.0331639834863857 0.000214673167591639 \n2 5 74124.142292174 0.136784828511181
  1.79395952625758 \n3 3 169504.649065961 0.213692863412526 60.0617510100503 \n3 4
  146835.114678908 0.210349185259049 47.3225728524629 \n3 5 146835.114678908 0.210349185259049
  47.3225728524629 \n4 4 127198.698386798 0.207005479340455 37.2289658745028 \n4 5
  127198.698386798 0.207005479340455 37.2289658745028 \n5 5 127198.698386798 0.207005479340455
  37.2289658745028 \n"
pair_coeff: ! |
  1 1 170339.505032359 0.166879344173798 13.642356513989
  1 2 85988.1490021027 0.116722557424471 0.80085535265993
  1 3 169866.420176425 0.190286500706475 29.9623467274028
  1 4 147160.913151695 0.186942613268455 23.3320434749744
  1 5 147160.913151695 0.186942613268455 23.3320434749744
  2 2 43972.4676803832 0.0665738276248451 0.0138732735747516
  2 3 85535.686235147 0.140128612516736 2.39406114840173
  2 4 45975.8370021332 0.0331639834863857 0.000214673167591639
  2 5 74124.142292174 0.136784828511181 1.79395952625758
  3 3 169504.649065961 0.213692863412526 60.0617510100503
  3 4 146835.114678908 0.210349185259049 47.3225728524629
  3 5 146835.114678908 0.210349185259049 47.3225728524629
  4 4 127198.698386798 0.207005479340455 37.2289658745028
  4 5 127198.698386798 0.207005479340455 37.2289658745028
  5 5 127198.698386798 0.207005479340455 37.2289658745028
extract: ! |
  a 2
  c 2