lammps/examples/mscg/in.mscg

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2017-01-10 04:36:40 +08:00
units real
atom_style full
pair_style zero 10.0
read_data data.meoh
pair_coeff * *
thermo 1
thermo_style custom step
# Test 1a: range finder functionality
fix 1 all mscg 1 range on
rerun dump.meoh first 0 last 4500 every 250 dump x y z fx fy fz
print "TEST_1a mscg range finder"
unfix 1
# Test 1b: force matching functionality
fix 1 all mscg 1
rerun dump.meoh first 0 last 4500 every 250 dump x y z fx fy fz
print "TEST_1b mscg force matching"
print TEST_DONE