lijiext
/
lammps
mirror of https://github.com/lammps/lammps.git
1
0
Fork 1
Code Issues Packages Projects Releases Wiki Activity

update custom lattice example for better syntax highlighting and remove unused lines

This commit is contained in:
Axel Kohlmeyer 2020-08-12 20:37:31 -04:00
parent 1cd2dfee3f
commit 33118491a9
No known key found for this signature in database
GPG Key ID: D9B44E93BF0C375A
1 changed files with 13 additions and 17 deletions

30
doc/src/lattice.rst
View File

@ -260,25 +260,21 @@ of Aidan Thompson), with its 8 atom unit cell.
variable b equal $a*sqrt(3.0)
variable c equal $a*sqrt(8.0/3.0)
variable 1_3 equal 1.0/3.0
variable 2_3 equal 2.0/3.0
variable 1_6 equal 1.0/6.0
variable 5_6 equal 5.0/6.0
variable 1_12 equal 1.0/12.0
variable 5_12 equal 5.0/12.0
variable third equal 1.0/3.0
variable five6 equal 5.0/6.0
lattice custom 1.0 &
a1 $a 0.0 0.0 &
a2 0.0 $b 0.0 &
a3 0.0 0.0 $c &
basis 0.0 0.0 0.0 &
basis 0.5 0.5 0.0 &
basis ${1_3} 0.0 0.5 &
basis ${5_6} 0.5 0.5 &
basis 0.0 0.0 0.625 &
basis 0.5 0.5 0.625 &
basis ${1_3} 0.0 0.125 &
basis ${5_6} 0.5 0.125
a1 $a 0.0 0.0 &
a2 0.0 $b 0.0 &
a3 0.0 0.0 $c &
basis 0.0 0.0 0.0 &
basis 0.5 0.5 0.0 &
basis ${third} 0.0 0.5 &
basis ${five6} 0.5 0.5 &
basis 0.0 0.0 0.625 &
basis 0.5 0.5 0.625 &
basis ${third} 0.0 0.125 &
basis ${five6} 0.5 0.125
region myreg block 0 1 0 1 0 1
create_box 2 myreg