Loading examples/SPIN/cobalt_hcp/in.spin.cobalt_hcp +3 −3 Original line number Diff line number Diff line Loading @@ -25,8 +25,8 @@ velocity all create 100 4928459 rot yes dist gaussian #pair_style hybrid/overlay eam/alloy spin/exchange 4.0 spin/neel 4.0 pair_style hybrid/overlay eam/alloy spin/exchange 4.0 pair_coeff * * eam/alloy ../examples/SPIN/cobalt_hcp/Co_PurjaPun_2012.eam.alloy Co #pair_coeff * * eam/alloy Co_PurjaPun_2012.eam.alloy Co # pair_coeff * * eam/alloy ../examples/SPIN/cobalt_hcp/Co_PurjaPun_2012.eam.alloy Co pair_coeff * * eam/alloy Co_PurjaPun_2012.eam.alloy Co pair_coeff * * spin/exchange exchange 4.0 -0.3593 1.135028015e-05 1.064568567 #pair_coeff * * spin/neel neel 4.0 0.0048 0.234 1.168 2.6905 0.705 0.652 Loading @@ -52,7 +52,7 @@ variable magnorm equal c_out_mag[4] variable emag equal c_out_mag[5] variable tmag equal c_out_mag[6] thermo_style custom step time v_magnorm v_emag temp etotal thermo_style custom step time v_magnorm v_emag temp press etotal thermo 10 compute outsp all property/atom spx spy spz sp fmx fmy fmz Loading examples/SPIN/iron/in.spin.iron +3 −2 Original line number Diff line number Diff line Loading @@ -48,10 +48,11 @@ variable magnorm equal c_out_mag[4] variable emag equal c_out_mag[5] variable tmag equal c_out_mag[6] thermo_style custom step time v_magnorm v_tmag temp v_emag ke pe etotal thermo_style custom step time v_magnorm v_tmag temp v_emag ke pe press etotal 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 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 fx fy fz run 50000 Loading
examples/SPIN/cobalt_hcp/in.spin.cobalt_hcp +3 −3 Original line number Diff line number Diff line Loading @@ -25,8 +25,8 @@ velocity all create 100 4928459 rot yes dist gaussian #pair_style hybrid/overlay eam/alloy spin/exchange 4.0 spin/neel 4.0 pair_style hybrid/overlay eam/alloy spin/exchange 4.0 pair_coeff * * eam/alloy ../examples/SPIN/cobalt_hcp/Co_PurjaPun_2012.eam.alloy Co #pair_coeff * * eam/alloy Co_PurjaPun_2012.eam.alloy Co # pair_coeff * * eam/alloy ../examples/SPIN/cobalt_hcp/Co_PurjaPun_2012.eam.alloy Co pair_coeff * * eam/alloy Co_PurjaPun_2012.eam.alloy Co pair_coeff * * spin/exchange exchange 4.0 -0.3593 1.135028015e-05 1.064568567 #pair_coeff * * spin/neel neel 4.0 0.0048 0.234 1.168 2.6905 0.705 0.652 Loading @@ -52,7 +52,7 @@ variable magnorm equal c_out_mag[4] variable emag equal c_out_mag[5] variable tmag equal c_out_mag[6] thermo_style custom step time v_magnorm v_emag temp etotal thermo_style custom step time v_magnorm v_emag temp press etotal thermo 10 compute outsp all property/atom spx spy spz sp fmx fmy fmz Loading
examples/SPIN/iron/in.spin.iron +3 −2 Original line number Diff line number Diff line Loading @@ -48,10 +48,11 @@ variable magnorm equal c_out_mag[4] variable emag equal c_out_mag[5] variable tmag equal c_out_mag[6] thermo_style custom step time v_magnorm v_tmag temp v_emag ke pe etotal thermo_style custom step time v_magnorm v_tmag temp v_emag ke pe press etotal 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 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 fx fy fz run 50000
