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Commit JT 052819

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- corrected examples in examples/SPIN/dipole_spin
- modified warning message in src/SPIN/pair_spin_dipole_*.cpp
This commit is contained in:
julient31
2019-05-28 15:31:03 -06:00
parent ed7c09ac81
commit 35be1724e3
5 changed files with 11 additions and 12 deletions
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2
examples/SPIN/dipole_spin/in.spin.iron_dipole_cut
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@ -54,6 +54,6 @@ thermo_style custom step time v_magx v_magy v_magz v_magnorm v_tmag v_emag pe
thermo 50
compute outsp all property/atom spx spy spz sp fmx fmy fmz
dump 100 all custom 1 dump_iron.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3]
dump 1 all custom 100 dump_iron.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3]
run 2000

2
examples/SPIN/dipole_spin/in.spin.iron_dipole_ewald
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@ -56,6 +56,6 @@ thermo_style custom step time v_magx v_magy v_magz v_magnorm v_tmag v_emag pe
thermo 50
compute outsp all property/atom spx spy spz sp fmx fmy fmz
dump 100 all custom 1 dump_iron.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3]
dump 1 all custom 100 dump_iron.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3]
run 2000

5
examples/SPIN/dipole_spin/in.spin.iron_dipole_pppm
View File

@ -57,9 +57,6 @@ thermo_style custom step time v_magx v_magy v_magz v_magnorm v_tmag v_emag pe
thermo 50
compute outsp all property/atom spx spy spz sp fmx fmy fmz
dump 100 all custom 1 dump_iron.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3]
dump 1 all custom 100 dump_iron.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3]
run 2000
# min_style spin
# min_modify alpha_damp 1.0 discrete_factor 10
# minimize 1.0e-16 1.0e-16 10000 10000