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Eliminated several undefined variables

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This commit is contained in:
Aidan Thompson
2021-12-10 18:30:44 -07:00
parent 591af3f560
commit c69edde55c
4 changed files with 10 additions and 31 deletions
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8
examples/snap/in.grid.pair
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@ -1,8 +1,5 @@
# Demonstrate bispectrum computes
# Demonstrate pair style base on sna/grid
# CORRECTNESS: thermo output for c_mygrid[*][1] and c_mygrid[*][8] should
# match the values in dump_b: 108.173 3.21778 0.712238 7.06634 1.04273
# Initialize simulation
variable nsteps index 0
@ -58,6 +55,7 @@ pair_style sna/grid grid ${ngrid} ${ngrid} ${ngrid} &
quadraticflag ${quad} switchflag ${switch}
pair_coeff * * Al
thermo_style custom step temp epair emol etotal press
neighbor 0.0 nsq
run 0
run 10