From 12f312947e5f1dd0887bb30f67801865c6ff79b0 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Wed, 11 Dec 2013 15:31:38 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11112 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- doc/angle_class2.html | 8 ++++---- doc/angle_class2.txt | 8 ++++---- 2 files changed, 8 insertions(+), 8 deletions(-) diff --git a/doc/angle_class2.html b/doc/angle_class2.html index a80dabcc32..cbc22fb287 100644 --- a/doc/angle_class2.html +++ b/doc/angle_class2.html @@ -37,8 +37,8 @@ the equilibrium bond lengths.

See (Sun) for a description of the COMPASS class2 force field.

Coefficients for the Ea, Ebb, and Eba formulas must be defined for -each angle type via the bond_coeff command as in the -example above, or in the data file or restart files read by the +each angle type via the angle_coeff command as in +the example above, or in the data file or restart files read by the read_data or read_restart commands.

@@ -52,7 +52,7 @@ commands.

Theta0 is specified in degrees, but LAMMPS converts it to radians internally; hence the units of the various K are in per-radian.

-

For the Ebb formula, each line in a bond_coeff +

For the Ebb formula, each line in a angle_coeff command in the input script lists 4 coefficients, the first of which is "bb" to indicate they are BondBond coefficients. In a data file, these coefficients should be listed under a "BondBond Coeffs" heading @@ -64,7 +64,7 @@ the angle type.

  • r1 (distance)
  • r2 (distance) -

    For the Eba formula, each line in a bond_coeff +

    For the Eba formula, each line in a angle_coeff command in the input script lists 5 coefficients, the first of which is "ba" to indicate they are BondAngle coefficients. In a data file, these coefficients should be listed under a "BondAngle Coeffs" heading diff --git a/doc/angle_class2.txt b/doc/angle_class2.txt index 12ec476f26..d0f5ee3f99 100644 --- a/doc/angle_class2.txt +++ b/doc/angle_class2.txt @@ -33,8 +33,8 @@ the equilibrium bond lengths. See "(Sun)"_#Sun for a description of the COMPASS class2 force field. Coefficients for the Ea, Ebb, and Eba formulas must be defined for -each angle type via the "bond_coeff"_bond_coeff.html command as in the -example above, or in the data file or restart files read by the +each angle type via the "angle_coeff"_angle_coeff.html command as in +the example above, or in the data file or restart files read by the "read_data"_read_data.html or "read_restart"_read_restart.html commands. @@ -48,7 +48,7 @@ K4 (energy/radian^4) :ul Theta0 is specified in degrees, but LAMMPS converts it to radians internally; hence the units of the various K are in per-radian. -For the Ebb formula, each line in a "bond_coeff"_bond_coeff.html +For the Ebb formula, each line in a "angle_coeff"_angle_coeff.html command in the input script lists 4 coefficients, the first of which is "bb" to indicate they are BondBond coefficients. In a data file, these coefficients should be listed under a "BondBond Coeffs" heading @@ -60,7 +60,7 @@ M (energy/distance^2) r1 (distance) r2 (distance) :ul -For the Eba formula, each line in a "bond_coeff"_bond_coeff.html +For the Eba formula, each line in a "angle_coeff"_angle_coeff.html command in the input script lists 5 coefficients, the first of which is "ba" to indicate they are BondAngle coefficients. In a data file, these coefficients should be listed under a "BondAngle Coeffs" heading