Loading doc/pair_tersoff.html +8 −7 Original line number Diff line number Diff line Loading @@ -82,10 +82,10 @@ above: <LI>A (energy units) </UL> <P>The n, beta, lambda2, B, lambda1, and A parameters are only used for two-body interactions. The m, gamma, lambda3, c, d, and costheta0 parameters are only used for three-body interactions. The R and D parameters are used for both two-body and three-body interactions. The non-annotated parameters are unitless. two-body interactions. The m, gamma, lambda3, c, d, and costheta0 parameters are only used for three-body interactions. The R and D parameters are used for both two-body and three-body interactions. The non-annotated parameters are unitless. The value of m must be 3 or 1. </P> <P>The Tersoff potential file must contain entries for all the elements listed in the pair_coeff command. It can also contain entries for Loading Loading @@ -119,9 +119,10 @@ be set to 0.0 if desired. used variants of the Tersoff potential. In particular, our form reduces to the original Tersoff form when m = 3 and gamma = 1, while it reduces to the form of <A HREF = "#Albe">Albe et al.</A> when beta = 1 and m = 1. Tersoff used a slightly different but equivalent form for alloys, which we will refer to as Tersoff_2 potential <A HREF = "#Tersoff_2">(Tersoff_2)</A>. Note that in the current Tersoff implementation in LAMMPS, m must be specified as either 3 or 1. Tersoff used a slightly different but equivalent form for alloys, which we will refer to as Tersoff_2 potential <A HREF = "#Tersoff_2">(Tersoff_2)</A>. </P> <P>LAMMPS parameter values for Tersoff_2 can be obtained as follows. gamma = 1, just as for Tersoff_1, but now lambda3 = 0 and the value of Loading doc/pair_tersoff.txt +8 −7 Original line number Diff line number Diff line Loading @@ -79,10 +79,10 @@ lambda1 (1/distance units) A (energy units) :ul The n, beta, lambda2, B, lambda1, and A parameters are only used for two-body interactions. The m, gamma, lambda3, c, d, and costheta0 parameters are only used for three-body interactions. The R and D parameters are used for both two-body and three-body interactions. The non-annotated parameters are unitless. two-body interactions. The m, gamma, lambda3, c, d, and costheta0 parameters are only used for three-body interactions. The R and D parameters are used for both two-body and three-body interactions. The non-annotated parameters are unitless. The value of m must be 3 or 1. The Tersoff potential file must contain entries for all the elements listed in the pair_coeff command. It can also contain entries for Loading Loading @@ -116,9 +116,10 @@ We chose the above form so as to enable users to define all commonly used variants of the Tersoff potential. In particular, our form reduces to the original Tersoff form when m = 3 and gamma = 1, while it reduces to the form of "Albe et al."_#Albe when beta = 1 and m = 1. Tersoff used a slightly different but equivalent form for alloys, which we will refer to as Tersoff_2 potential "(Tersoff_2)"_#Tersoff_2. Note that in the current Tersoff implementation in LAMMPS, m must be specified as either 3 or 1. Tersoff used a slightly different but equivalent form for alloys, which we will refer to as Tersoff_2 potential "(Tersoff_2)"_#Tersoff_2. LAMMPS parameter values for Tersoff_2 can be obtained as follows. gamma = 1, just as for Tersoff_1, but now lambda3 = 0 and the value of Loading Loading
doc/pair_tersoff.html +8 −7 Original line number Diff line number Diff line Loading @@ -82,10 +82,10 @@ above: <LI>A (energy units) </UL> <P>The n, beta, lambda2, B, lambda1, and A parameters are only used for two-body interactions. The m, gamma, lambda3, c, d, and costheta0 parameters are only used for three-body interactions. The R and D parameters are used for both two-body and three-body interactions. The non-annotated parameters are unitless. two-body interactions. The m, gamma, lambda3, c, d, and costheta0 parameters are only used for three-body interactions. The R and D parameters are used for both two-body and three-body interactions. The non-annotated parameters are unitless. The value of m must be 3 or 1. </P> <P>The Tersoff potential file must contain entries for all the elements listed in the pair_coeff command. It can also contain entries for Loading Loading @@ -119,9 +119,10 @@ be set to 0.0 if desired. used variants of the Tersoff potential. In particular, our form reduces to the original Tersoff form when m = 3 and gamma = 1, while it reduces to the form of <A HREF = "#Albe">Albe et al.</A> when beta = 1 and m = 1. Tersoff used a slightly different but equivalent form for alloys, which we will refer to as Tersoff_2 potential <A HREF = "#Tersoff_2">(Tersoff_2)</A>. Note that in the current Tersoff implementation in LAMMPS, m must be specified as either 3 or 1. Tersoff used a slightly different but equivalent form for alloys, which we will refer to as Tersoff_2 potential <A HREF = "#Tersoff_2">(Tersoff_2)</A>. </P> <P>LAMMPS parameter values for Tersoff_2 can be obtained as follows. gamma = 1, just as for Tersoff_1, but now lambda3 = 0 and the value of Loading
doc/pair_tersoff.txt +8 −7 Original line number Diff line number Diff line Loading @@ -79,10 +79,10 @@ lambda1 (1/distance units) A (energy units) :ul The n, beta, lambda2, B, lambda1, and A parameters are only used for two-body interactions. The m, gamma, lambda3, c, d, and costheta0 parameters are only used for three-body interactions. The R and D parameters are used for both two-body and three-body interactions. The non-annotated parameters are unitless. two-body interactions. The m, gamma, lambda3, c, d, and costheta0 parameters are only used for three-body interactions. The R and D parameters are used for both two-body and three-body interactions. The non-annotated parameters are unitless. The value of m must be 3 or 1. The Tersoff potential file must contain entries for all the elements listed in the pair_coeff command. It can also contain entries for Loading Loading @@ -116,9 +116,10 @@ We chose the above form so as to enable users to define all commonly used variants of the Tersoff potential. In particular, our form reduces to the original Tersoff form when m = 3 and gamma = 1, while it reduces to the form of "Albe et al."_#Albe when beta = 1 and m = 1. Tersoff used a slightly different but equivalent form for alloys, which we will refer to as Tersoff_2 potential "(Tersoff_2)"_#Tersoff_2. Note that in the current Tersoff implementation in LAMMPS, m must be specified as either 3 or 1. Tersoff used a slightly different but equivalent form for alloys, which we will refer to as Tersoff_2 potential "(Tersoff_2)"_#Tersoff_2. LAMMPS parameter values for Tersoff_2 can be obtained as follows. gamma = 1, just as for Tersoff_1, but now lambda3 = 0 and the value of Loading
