Loading doc/src/min_modify.txt +10 −0 Original line number Diff line number Diff line Loading @@ -18,6 +18,8 @@ keyword = {dmax} or {line} or {alpha_damp} or {discrete_factor} max = maximum distance for line search to move (distance units) {line} value = {backtrack} or {quadratic} or {forcezero} or {spin_cubic} or {spin_none} backtrack,quadratic,forcezero,spin_cubic,spin_none = style of linesearch to use {norm} value = {euclidean} or {max} euclidean,max = style of norm to use {alpha_damp} value = damping damping = fictitious Gilbert damping for spin minimization (adim) {discrete_factor} value = factor Loading Loading @@ -69,6 +71,14 @@ difference of two large values (energy before and energy after) and that difference may be smaller than machine epsilon even if atoms could move in the gradient direction to reduce forces further. The choice of a norm can be modified for the min styles {fire}, {quickmin}, {sd}, {spin}, {spin_oso_cg} and {spin_oso_lbfgs} using the {norm} keyword. The default {euclidean} norm computes the 2-norm (length) of the global force vector. The {max} norm computes the maximum value of the 2-norms of all forces in the system. Keywords {alpha_damp} and {discrete_factor} only make sense when a "min_spin"_min_spin.html command is declared. Keyword {alpha_damp} defines an analog of a magnetic Gilbert Loading Loading
doc/src/min_modify.txt +10 −0 Original line number Diff line number Diff line Loading @@ -18,6 +18,8 @@ keyword = {dmax} or {line} or {alpha_damp} or {discrete_factor} max = maximum distance for line search to move (distance units) {line} value = {backtrack} or {quadratic} or {forcezero} or {spin_cubic} or {spin_none} backtrack,quadratic,forcezero,spin_cubic,spin_none = style of linesearch to use {norm} value = {euclidean} or {max} euclidean,max = style of norm to use {alpha_damp} value = damping damping = fictitious Gilbert damping for spin minimization (adim) {discrete_factor} value = factor Loading Loading @@ -69,6 +71,14 @@ difference of two large values (energy before and energy after) and that difference may be smaller than machine epsilon even if atoms could move in the gradient direction to reduce forces further. The choice of a norm can be modified for the min styles {fire}, {quickmin}, {sd}, {spin}, {spin_oso_cg} and {spin_oso_lbfgs} using the {norm} keyword. The default {euclidean} norm computes the 2-norm (length) of the global force vector. The {max} norm computes the maximum value of the 2-norms of all forces in the system. Keywords {alpha_damp} and {discrete_factor} only make sense when a "min_spin"_min_spin.html command is declared. Keyword {alpha_damp} defines an analog of a magnetic Gilbert Loading
