update colloid test template so it can handle different atom styles

This commit is contained in:
Axel Kohlmeyer
2020-08-07 12:04:06 -04:00
parent 15e969ca5b
commit efa8b3486f
7 changed files with 353 additions and 299 deletions

View File

@ -1,16 +1,19 @@
variable atom_style index atomic
variable newton_pair index on
variable newton_bond index on
variable units index lj
variable input_dir index .
variable data_file index ${input_dir}/data.colloid
variable pair_style index 'zero 8.0'
variable dump_file index ${input_dir}/dump.colloid
variable pair_style index 'zero 8.0'
atom_style atomic
atom_style ${atom_style}
atom_modify map array
neigh_modify delay 2 every 2 check no
timestep 0.01
units ${units}
newton ${newton_pair} ${newton_bond}
region box block 0 1 0 1 0 1
create_box 2 box
pair_style ${pair_style}
read_data ${data_file}
read_dump ${dump_file} 0 x y z vx vy vz box yes replace yes add yes