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ATC version 2.0, date: Aug28

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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10696 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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rjones
2013-08-28 22:16:56 +00:00
parent 8d6d4e9289
commit 07e3b8c7d7
91 changed files with 4367 additions and 4059 deletions
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5
examples/USER/atc/molecule/in.polarize
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@ -1,5 +1,6 @@
###
log log.water
echo both
log log.polarize
variable nstepsequil equal 1000000
variable nsteps equal 100
@ -34,7 +35,7 @@ kspace_modify slab 3.0
pair_style lj/cut/coul/long 13.0 13.0
bond_style harmonic
angle_style harmonic
read_data waterequil.data
read_data waterequil.init
#velocity all create 0.0 482748 dist uniform