diff --git a/doc/src/fix_restrain.rst b/doc/src/fix_restrain.rst index fdc5be06bc..c25867197a 100644 --- a/doc/src/fix_restrain.rst +++ b/doc/src/fix_restrain.rst @@ -13,7 +13,7 @@ Syntax * ID, group-ID are documented in :doc:`fix ` command * restrain = style name of this fix command * one or more keyword/arg pairs may be appended -* keyword = *bond* or *angle* or *dihedral* +* keyword = *bond* or *lbound* or *angle* or *dihedral* .. parsed-literal:: @@ -23,7 +23,7 @@ Syntax r0start = equilibrium bond distance at start of run (distance units) r0stop = equilibrium bond distance at end of run (optional) (distance units). If not specified it is assumed to be equal to r0start - *lbond* args = atom1 atom2 Kstart Kstop r0start (r0stop) + *lbound* args = atom1 atom2 Kstart Kstop r0start (r0stop) atom1,atom2 = IDs of 2 atoms in bond Kstart,Kstop = restraint coefficients at start/end of run (energy units) r0start = equilibrium bond distance at start of run (distance units) @@ -46,7 +46,7 @@ Examples .. code-block:: LAMMPS fix holdem all restrain bond 45 48 2000.0 2000.0 2.75 - fix holdem all restrain lbond 45 48 2000.0 2000.0 2.75 + fix holdem all restrain lbound 45 48 2000.0 2000.0 2.75 fix holdem all restrain dihedral 1 2 3 4 2000.0 2000.0 120.0 fix holdem all restrain bond 45 48 2000.0 2000.0 2.75 dihedral 1 2 3 4 2000.0 2000.0 120.0 fix texas_holdem all restrain dihedral 1 2 3 4 0.0 2000.0 120.0 dihedral 1 2 3 5 0.0 2000.0 -120.0 dihedral 1 2 3 6 0.0 2000.0 0.0 @@ -150,7 +150,7 @@ is included in :math:`K`. ---------- -The *lbond* keyword applies a lower bound bond restraint to the specified atoms +The *lbound* keyword applies a lower bound bond restraint to the specified atoms using the same functional form used by the :doc:`bond_style harmonic ` command if the distance between the atoms is smaller than the equilibrium bond distance and 0 otherwise. The potential associated with the restraint is