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Added atom jiggle to initial structure

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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14000 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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athomps
2015-09-04 23:23:47 +00:00
parent 7b30c20b66
commit 40382cbda9
2 changed files with 6 additions and 0 deletions
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2
examples/ELASTIC/in.elastic
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@ -85,6 +85,8 @@ variable d4 equal -(v_pyz1-${pyz0})/(v_delta/v_len0)*${cfac}
variable d5 equal -(v_pxz1-${pxz0})/(v_delta/v_len0)*${cfac} variable d5 equal -(v_pxz1-${pxz0})/(v_delta/v_len0)*${cfac}
variable d6 equal -(v_pxy1-${pxy0})/(v_delta/v_len0)*${cfac} variable d6 equal -(v_pxy1-${pxy0})/(v_delta/v_len0)*${cfac}
displace_atoms all random ${atomjiggle} ${atomjiggle} ${atomjiggle} 87287 units box
# Write restart # Write restart
unfix 3 unfix 3
write_restart restart.equil write_restart restart.equil

4
examples/ELASTIC/init.mod
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@ -6,6 +6,10 @@
# variable to verify that results do not depend on it. # variable to verify that results do not depend on it.
variable up equal 1.0e-6 variable up equal 1.0e-6
# Define the amount of random jiggle for atoms
# This prevents atoms from staying on saddle points
variable atomjiggle equal 1.0e-5
# Uncomment one of these blocks, depending on what units # Uncomment one of these blocks, depending on what units
# you are using in LAMMPS and for output # you are using in LAMMPS and for output