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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5682 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2011-02-21 21:57:22 +00:00
parent 3ce83810ef
commit 74ddbe7a8f
1 changed files with 18 additions and 18 deletions
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36
examples/ELASTIC/displace.mod
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@ -4,17 +4,17 @@
# Find which reference length to use
if ${dir} == 1 then &
if "${dir} == 1" then &
"variable len0 equal ${lx0}"
if ${dir} == 2 then &
if "${dir} == 2" then &
"variable len0 equal ${ly0}"
if ${dir} == 3 then &
if "${dir} == 3" then &
"variable len0 equal ${lz0}"
if ${dir} == 4 then &
if "${dir} == 4" then &
"variable len0 equal ${lz0}"
if ${dir} == 5 then &
if "${dir} == 5" then &
"variable len0 equal ${lz0}"
if ${dir} == 6 then &
if "${dir} == 6" then &
"variable len0 equal ${ly0}"
# Reset box and simulation parameters
@ -24,17 +24,17 @@ include potential.mod
# Negative deformation
variable delta equal -${up}*${len0}
if ${dir} == 1 then &
if "${dir} == 1" then &
"displace_box all x delta 0 ${delta} units box"
if ${dir} == 2 then &
if "${dir} == 2" then &
"displace_box all y delta 0 ${delta} units box"
if ${dir} == 3 then &
if "${dir} == 3" then &
"displace_box all z delta 0 ${delta} units box"
if ${dir} == 4 then &
if "${dir} == 4" then &
"displace_box all yz delta ${delta} units box"
if ${dir} == 5 then &
if "${dir} == 5" then &
"displace_box all xz delta ${delta} units box"
if ${dir} == 6 then &
if "${dir} == 6" then &
"displace_box all xy delta ${delta} units box"
# Relax atoms positions
@ -72,17 +72,17 @@ include potential.mod
# Positive deformation
variable delta equal ${up}*${len0}
if ${dir} == 1 then &
if "${dir} == 1" then &
"displace_box all x delta 0 ${delta} units box"
if ${dir} == 2 then &
if "${dir} == 2" then &
"displace_box all y delta 0 ${delta} units box"
if ${dir} == 3 then &
if "${dir} == 3" then &
"displace_box all z delta 0 ${delta} units box"
if ${dir} == 4 then &
if "${dir} == 4" then &
"displace_box all yz delta ${delta} units box"
if ${dir} == 5 then &
if "${dir} == 5" then &
"displace_box all xz delta ${delta} units box"
if ${dir} == 6 then &
if "${dir} == 6" then &
"displace_box all xy delta ${delta} units box"
# Relax atoms positions