Loading doc/src/fix_langevin_spin.txt +1 −1 Original line number Diff line number Diff line Loading @@ -50,7 +50,7 @@ As an example: fix 1 all precession/spin zeeman 0.01 0.0 0.0 1.0 fix 2 all langevin/spin 300.0 0.01 21 fix 3 all nve/spin lattice yes :pre fix 3 all nve/spin lattice moving :pre is correct, but defining a force/spin command after the langevin/spin command would give an error message. Loading doc/src/fix_nve_spin.txt +13 −7 Original line number Diff line number Diff line Loading @@ -15,22 +15,26 @@ fix ID group-ID nve/spin keyword values :pre ID, group-ID are documented in "fix"_fix.html command :ulb,l nve/spin = style name of this fix command :l keyword = {lattice} :l {lattice} value = {no} or {yes} :pre {lattice} value = {moving} or {frozen} moving = integrate both spin and atomic degress of freedom frozen = integrate spins on a fixed lattice :pre :ule [Examples:] fix 3 all nve/spin lattice yes fix 1 all nve/spin lattice no :pre fix 3 all nve/spin lattice moving fix 1 all nve/spin lattice frozen :pre [Description:] Perform a symplectic integration for the spin or spin-lattice system. The {lattice} keyword defines if the spins are integrated on a lattice of fixed atoms (lattice = no), or if atoms are moving (lattice = yes). By default (lattice = yes), a spin-lattice integration is performed. of fixed atoms (lattice = frozen), or if atoms are moving (lattice = moving). The first case corresponds to a spin dynamics calculation, and the second to a spin-lattice calculation. By default a spin-lattice integration is performed (lattice = moving). The {nve/spin} fix applies a Suzuki-Trotter decomposition to the equations of motion of the spin lattice system, following the scheme: Loading Loading @@ -63,7 +67,9 @@ instead of "array" is also valid. "atom_style spin"_atom_style.html, "fix nve"_fix_nve.html [Default:] none [Default:] The option default is lattice = moving. :line Loading examples/SPIN/bfo/in.spin.bfo +1 −1 Original line number Diff line number Diff line Loading @@ -32,7 +32,7 @@ neigh_modify every 10 check yes delay 20 fix 1 all precession/spin anisotropy 0.0000033 0.0 0.0 1.0 fix 2 all langevin/spin 0.0 0.1 21 fix 3 all nve/spin lattice no fix 3 all nve/spin lattice frozen timestep 0.0002 Loading examples/SPIN/cobalt_fcc/in.spin.cobalt_fcc +1 −1 Original line number Diff line number Diff line Loading @@ -35,7 +35,7 @@ fix_modify 1 energy yes fix 2 all langevin/spin 0.0 0.0 21 fix 3 all nve/spin lattice yes fix 3 all nve/spin lattice moving timestep 0.0001 # compute and output options Loading examples/SPIN/cobalt_hcp/in.spin.cobalt_hcp +1 −1 Original line number Diff line number Diff line Loading @@ -37,7 +37,7 @@ neigh_modify every 10 check yes delay 20 fix 1 all precession/spin anisotropy 0.01 0.0 0.0 1.0 #fix 2 all langevin/spin 0.0 0.0 21 fix 2 all langevin/spin 0.0 0.1 21 fix 3 all nve/spin lattice yes fix 3 all nve/spin lattice moving timestep 0.0001 Loading Loading
doc/src/fix_langevin_spin.txt +1 −1 Original line number Diff line number Diff line Loading @@ -50,7 +50,7 @@ As an example: fix 1 all precession/spin zeeman 0.01 0.0 0.0 1.0 fix 2 all langevin/spin 300.0 0.01 21 fix 3 all nve/spin lattice yes :pre fix 3 all nve/spin lattice moving :pre is correct, but defining a force/spin command after the langevin/spin command would give an error message. Loading
doc/src/fix_nve_spin.txt +13 −7 Original line number Diff line number Diff line Loading @@ -15,22 +15,26 @@ fix ID group-ID nve/spin keyword values :pre ID, group-ID are documented in "fix"_fix.html command :ulb,l nve/spin = style name of this fix command :l keyword = {lattice} :l {lattice} value = {no} or {yes} :pre {lattice} value = {moving} or {frozen} moving = integrate both spin and atomic degress of freedom frozen = integrate spins on a fixed lattice :pre :ule [Examples:] fix 3 all nve/spin lattice yes fix 1 all nve/spin lattice no :pre fix 3 all nve/spin lattice moving fix 1 all nve/spin lattice frozen :pre [Description:] Perform a symplectic integration for the spin or spin-lattice system. The {lattice} keyword defines if the spins are integrated on a lattice of fixed atoms (lattice = no), or if atoms are moving (lattice = yes). By default (lattice = yes), a spin-lattice integration is performed. of fixed atoms (lattice = frozen), or if atoms are moving (lattice = moving). The first case corresponds to a spin dynamics calculation, and the second to a spin-lattice calculation. By default a spin-lattice integration is performed (lattice = moving). The {nve/spin} fix applies a Suzuki-Trotter decomposition to the equations of motion of the spin lattice system, following the scheme: Loading Loading @@ -63,7 +67,9 @@ instead of "array" is also valid. "atom_style spin"_atom_style.html, "fix nve"_fix_nve.html [Default:] none [Default:] The option default is lattice = moving. :line Loading
examples/SPIN/bfo/in.spin.bfo +1 −1 Original line number Diff line number Diff line Loading @@ -32,7 +32,7 @@ neigh_modify every 10 check yes delay 20 fix 1 all precession/spin anisotropy 0.0000033 0.0 0.0 1.0 fix 2 all langevin/spin 0.0 0.1 21 fix 3 all nve/spin lattice no fix 3 all nve/spin lattice frozen timestep 0.0002 Loading
examples/SPIN/cobalt_fcc/in.spin.cobalt_fcc +1 −1 Original line number Diff line number Diff line Loading @@ -35,7 +35,7 @@ fix_modify 1 energy yes fix 2 all langevin/spin 0.0 0.0 21 fix 3 all nve/spin lattice yes fix 3 all nve/spin lattice moving timestep 0.0001 # compute and output options Loading
examples/SPIN/cobalt_hcp/in.spin.cobalt_hcp +1 −1 Original line number Diff line number Diff line Loading @@ -37,7 +37,7 @@ neigh_modify every 10 check yes delay 20 fix 1 all precession/spin anisotropy 0.01 0.0 0.0 1.0 #fix 2 all langevin/spin 0.0 0.0 21 fix 2 all langevin/spin 0.0 0.1 21 fix 3 all nve/spin lattice yes fix 3 all nve/spin lattice moving timestep 0.0001 Loading
