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Commit JT 091418

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- created pair_spin_long_qsymp
- modified ewald_dipole
This commit is contained in:
julient31
2018-09-14 15:09:59 -06:00
parent 16911adcea
commit 82a5346ab1
8 changed files with 828 additions and 82 deletions
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7
examples/SPIN/pppm_spin/in.spin.pppm_spin
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@ -23,17 +23,20 @@ mass 1 58.93
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 spin/long 8.0
#pair_style hybrid/overlay eam/alloy spin/exchange 4.0 spin/long 8.0
pair_style hybrid/overlay eam/alloy spin/exchange 4.0 spin/long/qsymp 8.0
#pair_style hybrid/overlay eam/alloy spin/exchange 4.0
pair_coeff * * eam/alloy ../examples/SPIN/pppm_spin/Co_PurjaPun_2012.eam.alloy Co
pair_coeff * * spin/exchange exchange 4.0 0.3593 1.135028015e-05 1.064568567
pair_coeff * * spin/long long 8.0
pair_coeff * * spin/long/qsymp long 8.0
#pair_coeff * * spin/long long 8.0
neighbor 0.1 bin
neigh_modify every 10 check yes delay 20
kspace_style pppm/dipole/spin 1.0e-4
kspace_modify mesh 32 32 32
#fix 1 all precession/spin zeeman 1.0 0.0 0.0 1.0
fix 1 all precession/spin zeeman 0.0 0.0 0.0 1.0
fix 2 all langevin/spin 0.0 0.0 21