Adding option to doc files, clarifying normal forces in compute pair/bond local

This commit is contained in:
jtclemm
2023-05-19 13:51:53 -06:00
parent 7ec842d9cb
commit cb5934cbcd
4 changed files with 20 additions and 3 deletions

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@ -30,6 +30,9 @@ Syntax
*smooth* value = *yes* or *no*
smooths bond forces near the breaking point
*normalize* value = *yes* or *no*
normalizes normal and shear forces by the reference length
*break/no*
indicates that bonds should not break during a run
@ -136,6 +139,9 @@ or :doc:`read_restart <read_restart>` commands:
* :math:`\gamma_r` (force*distance/velocity units)
* :math:`\gamma_t` (force*distance/velocity units)
However, the *normalize* option will normalize the radial and shear forces
by :math:`r_0` such that :math:`k_r` and :math:`k_s` are unit less.
By default, pair forces are not calculated between bonded particles.
Pair forces can alternatively be overlaid on top of bond forces using
the *overlay/pair* keyword. These settings require specific

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@ -30,6 +30,9 @@ Syntax
*smooth* value = *yes* or *no*
smooths bond forces near the breaking point
*normalize* value = *yes* or *no*
normalizes bond forces by their reference length
*break/no*
indicates that bonds should not break during a run
@ -66,7 +69,7 @@ particles based on a model described by Clemmer and Robbins
F = k (r - r_0) w
where :math:`k_r` is a stiffness, :math:`r` is the current distance
where :math:`k` is a stiffness, :math:`r` is the current distance
and :math:`r_0` is the initial distance between the two particles, and
:math:`w` is an optional smoothing factor discussed below. Bonds will
break at a strain of :math:`\epsilon_c`. This is done by setting by
@ -102,6 +105,9 @@ the data file or restart files read by the :doc:`read_data
* :math:`\epsilon_c` (unit less)
* :math:`\gamma` (force/velocity units)
However, the *normalize* option will normalize the elastic bond force by
:math:`r_0` such that :math:`k` is unit less.
By default, pair forces are not calculated between bonded particles.
Pair forces can alternatively be overlaid on top of bond forces using
the *overlay/pair* keyword. These settings require specific

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@ -76,7 +76,10 @@ The value *force* is the magnitude of the force acting between the
pair of atoms in the bond.
The values *fx*, *fy*, and *fz* are the xyz components of
*force* between the pair of atoms in the bond.
*force* between the pair of atoms in the bond. For bond styles that apply
non-central forces, such as :doc:`bond_style bpm/rotational
<bond_bpm_rotational>`, these values only include the :math:`(x,y,z)`
components of the normal force component.
The remaining properties are all computed for motion of the two atoms
relative to the center of mass (COM) velocity of the 2 atoms in the

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@ -66,7 +66,9 @@ The value *eng* is the interaction energy for the pair of atoms.
The value *force* is the force acting between the pair of atoms, which
is positive for a repulsive force and negative for an attractive
force. The values *fx*, *fy*, and *fz* are the :math:`(x,y,z)` components of
*force* on atom I.
*force* on atom I. For pair styles that apply non-central forces,
such as :doc:`granular pair styles <pair_gran>`, these values only include
the :math:`(x,y,z)` components of the normal force component.
A pair style may define additional pairwise quantities which can be
accessed as *p1* to *pN*, where :math:`N` is defined by the pair style.