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Updated displace.mod

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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8042 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
athomps
2012-05-03 22:02:26 +00:00
parent 3191fb7c87
commit 3f9f4ea43a
1 changed files with 12 additions and 12 deletions
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24
examples/ELASTIC/displace.mod
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@ -26,17 +26,17 @@ include potential.mod
variable delta equal -${up}*${len0} variable delta equal -${up}*${len0}
if "${dir} == 1" then & if "${dir} == 1" then &
"displace_box all x delta 0 ${delta} units box" "change_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" "change_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" "change_box all z delta 0 ${delta} units box"
if "${dir} == 4" then & if "${dir} == 4" then &
"displace_box all yz delta ${delta} units box" "change_box all yz delta ${delta} units box"
if "${dir} == 5" then & if "${dir} == 5" then &
"displace_box all xz delta ${delta} units box" "change_box all xz delta ${delta} units box"
if "${dir} == 6" then & if "${dir} == 6" then &
"displace_box all xy delta ${delta} units box" "change_box all xy delta ${delta} units box"
# Relax atoms positions # Relax atoms positions
@ -76,17 +76,17 @@ include potential.mod
variable delta equal ${up}*${len0} variable delta equal ${up}*${len0}
if "${dir} == 1" then & if "${dir} == 1" then &
"displace_box all x delta 0 ${delta} units box" "change_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" "change_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" "change_box all z delta 0 ${delta} units box"
if "${dir} == 4" then & if "${dir} == 4" then &
"displace_box all yz delta ${delta} units box" "change_box all yz delta ${delta} units box"
if "${dir} == 5" then & if "${dir} == 5" then &
"displace_box all xz delta ${delta} units box" "change_box all xz delta ${delta} units box"
if "${dir} == 6" then & if "${dir} == 6" then &
"displace_box all xy delta ${delta} units box" "change_box all xy delta ${delta} units box"
# Relax atoms positions # Relax atoms positions