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Commit JT 100318

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- correction forces ewald_dipole
- correction mag. dipolar energy
This commit is contained in:
julient31
2018-10-03 10:23:58 -06:00
parent 19aaf294e5
commit a745a0aed0
7 changed files with 37 additions and 78 deletions
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examples/SPIN/pppm_spin/in.spin.ewald_spin
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@ -44,7 +44,7 @@ fix 2 all langevin/spin 0.0 0.0 21
#fix 3 all nve/spin lattice yes
fix 3 all nve/spin lattice no
timestep 0.0001
timestep 0.001
compute out_mag all compute/spin
@ -65,4 +65,4 @@ compute outsp all property/atom spx spy spz sp fmx fmy fmz
dump 100 all custom 1 dump_cobalt_hcp.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3]
#run 20000
run 1
run 1000