Loading doc/src/fix_nve_spin.txt +11 −4 Original line number Diff line number Diff line Loading @@ -27,10 +27,16 @@ fix 1 all nve/spin lattice no :pre 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). The {lattice} keyword defines whether the spins are integrated on a fixed or moving lattice. By default (lattice = yes), a spin-lattice integration is performed. If {lattice}=yes, the equations of motion of the atoms are integrated, and a combined spin and lattice calculation is performed. This is the default option. If {lattice}=no, the equations of motion of the atoms are not integrated. The lattice degrees of freedom are frozen, and a spin dynamics only calculation is performed. 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 +69,8 @@ instead of "array" is also valid. "atom_style spin"_atom_style.html, "fix nve"_fix_nve.html [Default:] none [Default:] By default (lattice = yes), a spin-lattice integration is performed. :line Loading doc/src/min_modify.txt +1 −2 Original line number Diff line number Diff line Loading @@ -110,8 +110,7 @@ explanation. [Default:] The option defaults are dmax = 0.1, line = quadratic and norm = euclidean. The option defaults are dmax = 0.1, line = quadratic and norm = euclidean. For the {spin}, {spin_oso_cg} and {spin_oso_lbfgs} styles, the option defaults are alpha_damp = 1.0, discrete_factor = 10.0, Loading doc/utils/sphinx-config/false_positives.txt +5 −0 Original line number Diff line number Diff line Loading @@ -273,6 +273,7 @@ Broadwell Broglie brownian brownw Broyden Bryantsev Btarget btype Loading Loading @@ -981,6 +982,7 @@ gmask Gmask gneb GNEB Goldfarb googlemail Gordan GPa Loading Loading @@ -1395,6 +1397,7 @@ Laupretre lavenderblush lawngreen lB lbfgs lbl LBtype lcbop Loading Loading @@ -2030,6 +2033,7 @@ Orsi ortho orthonormal orthorhombic oso ot Otype Ouldridge Loading Loading @@ -2493,6 +2497,7 @@ setvel sfftw Sg Shan Shanno shapex shapey shapez Loading Loading
doc/src/fix_nve_spin.txt +11 −4 Original line number Diff line number Diff line Loading @@ -27,10 +27,16 @@ fix 1 all nve/spin lattice no :pre 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). The {lattice} keyword defines whether the spins are integrated on a fixed or moving lattice. By default (lattice = yes), a spin-lattice integration is performed. If {lattice}=yes, the equations of motion of the atoms are integrated, and a combined spin and lattice calculation is performed. This is the default option. If {lattice}=no, the equations of motion of the atoms are not integrated. The lattice degrees of freedom are frozen, and a spin dynamics only calculation is performed. 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 +69,8 @@ instead of "array" is also valid. "atom_style spin"_atom_style.html, "fix nve"_fix_nve.html [Default:] none [Default:] By default (lattice = yes), a spin-lattice integration is performed. :line Loading
doc/src/min_modify.txt +1 −2 Original line number Diff line number Diff line Loading @@ -110,8 +110,7 @@ explanation. [Default:] The option defaults are dmax = 0.1, line = quadratic and norm = euclidean. The option defaults are dmax = 0.1, line = quadratic and norm = euclidean. For the {spin}, {spin_oso_cg} and {spin_oso_lbfgs} styles, the option defaults are alpha_damp = 1.0, discrete_factor = 10.0, Loading
doc/utils/sphinx-config/false_positives.txt +5 −0 Original line number Diff line number Diff line Loading @@ -273,6 +273,7 @@ Broadwell Broglie brownian brownw Broyden Bryantsev Btarget btype Loading Loading @@ -981,6 +982,7 @@ gmask Gmask gneb GNEB Goldfarb googlemail Gordan GPa Loading Loading @@ -1395,6 +1397,7 @@ Laupretre lavenderblush lawngreen lB lbfgs lbl LBtype lcbop Loading Loading @@ -2030,6 +2033,7 @@ Orsi ortho orthonormal orthorhombic oso ot Otype Ouldridge Loading Loading @@ -2493,6 +2497,7 @@ setvel sfftw Sg Shan Shanno shapex shapey shapez Loading
