Unverified Commit e4cf0a07 authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
Browse files

remove more `\_` escapes from doc anchors and a bunch of other issues found in the process

parent 5962e880
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@@ -87,7 +87,7 @@ commands)
* water potentials: TIP3P, TIP4P, SPC
* implicit solvent potentials: hydrodynamic lubrication, Debye
* force-field compatibility with common CHARMM, AMBER, DREIDING,     OPLS, GROMACS, COMPASS options
* access to the `OpenKIM Repository <http://openkim.org>`_ of potentials via     :doc:`kim\_init, kim\_interactions, and kim\_query <kim_commands>` commands
* access to the `OpenKIM Repository <http://openkim.org>`_ of potentials via     :doc:`kim_init, kim_interactions, and kim_query <kim_commands>` commands
* hybrid potentials: multiple pair, bond, angle, dihedral, improper     potentials can be used in one simulation
* overlaid potentials: superposition of multiple pair potentials

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@@ -927,7 +927,7 @@ Also several computes which calculate properties of rigid bodies.

* src/RIGID: filenames -> commands
* :doc:`compute erotate/rigid <compute_erotate_rigid>`
* fix shake"_fix\_shake.html
* :doc:`fix shake <fix_shake>`
* :doc:`fix rattle <fix_shake>`
* :doc:`fix rigid/\* <fix_rigid>`
* examples/ASPHERE
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@@ -54,19 +54,22 @@ effects, smaller timestep inaccuracy, faster equilibration and shorter
decorrelation time.

HMA should not be used if atoms are expected to diffuse.  It is also
restricted to simulations in the NVT ensemble.  While this compute may be
used with any potential in LAMMPS, it will provide inaccurate results
restricted to simulations in the NVT ensemble.  While this compute may
be used with any potential in LAMMPS, it will provide inaccurate results
for potentials that do not go to 0 at the truncation distance;
:doc:`pair\_lj\_smooth\_linear <pair_lj_smooth_linear>` and Ewald summation should
work fine, while :doc:`pair_lj <pair_lj>` will perform poorly unless
the potential is shifted (via :doc:`pair_modify <pair_modify>` shift) or the cutoff is large.  Furthermore, computation of the heat capacity with
this compute is restricted to those that implement the single\_hessian method
in Pair.  Implementing single\_hessian in additional pair styles is simple.
Please contact Andrew Schultz (ajs42 at buffalo.edu) and David Kofke (kofke at
buffalo.edu) if your desired pair style does not have this method.  This is
the list of pair styles that currently implement pair\_hessian:

* :doc:`lj\_smooth\_linear <pair_lj_smooth_linear>`
:doc:`pair_style lj/smooth/linear <pair_lj_smooth_linear>` and Ewald
summation should work fine, while :doc:`pair_style lj/cut <pair_lj>`
will perform poorly unless the potential is shifted (via
:doc:`pair_modify <pair_modify>` shift) or the cutoff is large.
Furthermore, computation of the heat capacity with this compute is
restricted to those that implement the *single\_hessian* method in Pair.
Implementing *single\_hessian* in additional pair styles is simple.
Please contact Andrew Schultz (ajs42 at buffalo.edu) and David Kofke
(kofke at buffalo.edu) if your desired pair style does not have this
method.  This is the list of pair styles that currently implement
*single\_hessian*:

* :doc:`pair_style lj/smooth/linear <pair_lj_smooth_linear>`


In this method, the analytically known harmonic behavior of a crystal is removed from the traditional ensemble
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@@ -92,7 +92,7 @@ Related commands
""""""""""""""""

:doc:`dihedral_coeff <dihedral_coeff>`,
:doc:`angle\_cosine\_shift\_exp <angle_cosine_shift_exp>`
:doc:`angle_style cosine/shift/exp <angle_cosine_shift_exp>`

**Default:** none

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@@ -319,7 +319,7 @@ Restrictions
Related commands
""""""""""""""""

:doc:`compute fep <compute_fep>`, :doc:`fix adapt <fix_adapt>`, :doc:`compute ti <compute_ti>`, :doc:`pair\_fep\_soft <pair_fep_soft>`
:doc:`compute fep <compute_fep>`, :doc:`fix adapt <fix_adapt>`, :doc:`compute ti <compute_ti>`, :doc:`pair_style \*/soft <pair_fep_soft>`

Default
"""""""
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