+
with the density at atom i -
-
-where theta_jik is the angle between atoms j, i, and k centered on -atom i. The five functions Phi, U, rho, f, and g are represented by -cubic splines. +
where rho_i is the density at atom I, theta_jik is the angle between +atoms J, I, and K centered on atom I. The five functions Phi, U, rho, +f, and g are represented by cubic splines.
The cutoffs and the coefficients for these spline functions are listed in a parameter file which is specified by the diff --git a/doc/pair_meam_spline.txt b/doc/pair_meam_spline.txt index 86968e3023..c3a7106fff 100644 --- a/doc/pair_meam_spline.txt +++ b/doc/pair_meam_spline.txt @@ -15,7 +15,8 @@ pair_style meam/spline :pre [Examples:] pair_style meam/spline -pair_coeff * * Ti.meam.spline :pre +pair_coeff * * Ti.meam.spline Ti +pair_coeff * * Ti.meam.spline Ti Ti Ti :pre [Description:] @@ -23,15 +24,11 @@ The {meam/spline} style computes pairwise interactions for metals using a variant of modified embedded-atom method (MEAM) potentials "(Lenosky)"_#Lenosky. The total energy E is given by -:c,image(Eqs/pair_meam_spline_1.png) +:c,image(Eqs/pair_meam_spline.jpg) -with the density at atom i - -:c,image(Eqs/pair_meam_spline_2.png) - -where theta_jik is the angle between atoms j, i, and k centered on -atom i. The five functions Phi, U, rho, f, and g are represented by -cubic splines. +where rho_i is the density at atom I, theta_jik is the angle between +atoms J, I, and K centered on atom I. The five functions Phi, U, rho, +f, and g are represented by cubic splines. The cutoffs and the coefficients for these spline functions are listed in a parameter file which is specified by the