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make SPIN package examples consistent with other examples and add reference logs

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This commit is contained in:
Axel Kohlmeyer
2018-06-27 14:06:56 -04:00
parent 3549345830
commit d3b83885d1
20 changed files with 4170 additions and 9 deletions
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6
examples/SPIN/cobalt_fcc/in.spin.cobalt_fcc
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@ -24,7 +24,7 @@ set group all spin 1.72 0.0 0.0 1.0
velocity all create 100 4928459 rot yes dist gaussian
pair_style hybrid/overlay eam/alloy spin/exchange 4.0
pair_coeff * * eam/alloy ../examples/SPIN/cobalt_fcc/Co_PurjaPun_2012.eam.alloy Co
pair_coeff * * eam/alloy Co_PurjaPun_2012.eam.alloy Co
pair_coeff * * spin/exchange exchange 4.0 0.0446928 0.003496 1.4885
neighbor 0.1 bin
@ -57,7 +57,7 @@ variable tmag equal c_out_mag[6]
thermo_style custom step time f_1 v_magx v_magy v_magnorm v_emag temp etotal
thermo 50
compute outsp all property/atom spx spy spz sp fmx fmy fmz
dump 100 all custom 1 dump_cobalt_fcc.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3]
#compute outsp all property/atom spx spy spz sp fmx fmy fmz
#dump 100 all custom 1 dump_cobalt_fcc.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3]
run 1000