fix broken doc links

This commit is contained in:
Axel Kohlmeyer
2023-03-04 17:03:07 -05:00
parent fcf8fc503f
commit 8aad97ca4a
9 changed files with 41 additions and 39 deletions

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@ -1964,10 +1964,10 @@ OPENMP package
Apple offers the `Xcode package and IDE
<https://developer.apple.com/xcode/>`_ for compiling software on
macOS, so you have likely installed it to compile LAMMPS. Their
compiler is based on `Clang <https://clang.llvm.org/>`, but while it
compiler is based on `Clang <https://clang.llvm.org/>`_, but while it
is capable of processing OpenMP directives, the necessary header
files and OpenMP runtime library are missing. The `R developers
<https://www.r-project.org/>` have figured out a way to build those
<https://www.r-project.org/>`_ have figured out a way to build those
in a compatible fashion. One can download them from
`https://mac.r-project.org/openmp/
<https://mac.r-project.org/openmp/>`_. Simply adding those files as

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@ -63,18 +63,18 @@ The package also provides a :doc:`mdi plugin <mdi>` command, which
enables LAMMPS to operate as an MDI driver and load an MDI engine as a
plugin library.
The package furthermore includes a `fix mdi/qm <fix_mdi_qm>` command, in
which LAMMPS operates as an MDI driver in conjunction with a quantum
mechanics code as an MDI engine. The post_force() method of the
``fix_mdi_qm.cpp`` file shows how a driver issues MDI commands to another
code. This command can be used to couple to an MDI engine, which is
either a stand-alone code or a plugin library.
The package furthermore includes a :doc:`fix mdi/qm <fix_mdi_qm>`
command, in which LAMMPS operates as an MDI driver in conjunction with a
quantum mechanics code as an MDI engine. The post_force() method of the
``fix_mdi_qm.cpp`` file shows how a driver issues MDI commands to
another code. This command can be used to couple to an MDI engine,
which is either a stand-alone code or a plugin library.
As explained in the `fix mdi/qm <fix_mdi_qm>` command documentation, it
can be used to perform *ab initio* MD simulations or energy
minimizations, or to evaluate the quantum energy and forces for a series
of independent systems. The ``examples/mdi`` directory has example
input scripts for all of these use cases.
As explained in the :doc:`fix mdi/qm <fix_mdi_qm>` command
documentation, it can be used to perform *ab initio* MD simulations or
energy minimizations, or to evaluate the quantum energy and forces for a
series of independent systems. The ``examples/mdi`` directory has
example input scripts for all of these use cases.
----------

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@ -195,7 +195,7 @@ Multi-replica models
* :doc:`parallel replica dynamics <prd>`
* :doc:`temperature accelerated dynamics <tad>`
* :doc:`parallel tempering <temper>`
* path-integral MD: `first variant <fix_pimd>`, `second variant <fix_ipi>`
* path-integral MD: :doc:`first variant <fix_pimd>`, :doc:`second variant <fix_ipi>`
* multi-walker collective variables with :doc:`Colvars <fix_colvars>` and :doc:`Plumed <fix_plumed>`
.. _prepost:

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@ -70,7 +70,7 @@ be specified even if the potential has a finite value at r = 0.0.
Related commands
""""""""""""""""
:doc:`bond_style table <bond_table>`, `angle_write <angle_write>`,
:doc:`bond_style table <bond_table>`, :doc:`angle_write <angle_write>`,
:doc:`bond_style <bond_style>`, :doc:`bond_coeff <bond_coeff>`
Default

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@ -375,7 +375,7 @@ output with each snapshot:
nx ny nz
The value dim will be 2 or 3 for 2d or 3d simulations. It is included
so that post-processing tools like `OVITO <https://www.ovito.org>`,
so that post-processing tools like `OVITO <https://www.ovito.org>`_,
which can visualize grid-based quantities know how to draw each grid
cell. The grid size will match the input script parameters for
grid(s) created by the computes or fixes which are referenced by the

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@ -218,10 +218,11 @@ use :doc:`change_box <change_box>` before invoking the fix.
Related commands
""""""""""""""""
:doc:`fix nvt <fix_nh>`, :doc:`fix npt <fix_nh>`, `fix nvt/sllod
:doc:<fix_nvt_sllod>`, `compute temp/uef <compute_temp_uef>`,
:doc::doc:`compute pressure/uef <compute_pressure_uef>`, `dump cfg/uef
:doc:<dump_cfg_uef>`
:doc:`fix nvt <fix_nh>`, :doc:`fix npt <fix_nh>`,
:doc:`fix nvt/sllod <fix_nvt_sllod>`,
:doc:`compute temp/uef <compute_temp_uef>`,
:doc:`compute pressure/uef <compute_pressure_uef>`,
:doc:`dump cfg/uef <dump_cfg_uef>`
Default
"""""""

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@ -133,9 +133,9 @@ constraint lists atom types. All bonds connected to an atom of the
specified type will be constrained. The *m* constraint lists atom
masses. All bonds connected to atoms of the specified masses will be
constrained (within a fudge factor of MASSDELTA specified in
fix_shake.cpp). The *a* constraint lists angle types. If both bonds
in the angle are constrained then the angle will also be constrained
if its type is in the list.
``src/RIGID/fix_shake.cpp``). The *a* constraint lists angle types. If
both bonds in the angle are constrained then the angle will also be
constrained if its type is in the list.
For all constraints, a particular bond is only constrained if both
atoms in the bond are in the group specified with the SHAKE fix.
@ -205,11 +205,11 @@ LAMMPS closely follows (:ref:`Andersen (1983) <Andersen3>`).
The *fix rattle* command modifies forces and velocities and thus
should be defined after all other integration fixes in your input
script. If you define other fixes that modify velocities or forces
after *fix rattle* operates, then *fix rattle* will not take them into
account and the overall time integration will typically not satisfy
the RATTLE constraints. You can check whether the constraints work
correctly by setting the value of RATTLE_DEBUG in src/fix_rattle.cpp
to 1 and recompiling LAMMPS.
after *fix rattle* operates, then *fix rattle* will not take them
into account and the overall time integration will typically not
satisfy the RATTLE constraints. You can check whether the
constraints work correctly by setting the value of RATTLE_DEBUG in
``src/RIGID/fix_rattle.cpp`` to 1 and recompiling LAMMPS.
----------

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@ -49,19 +49,19 @@ and forces) by pushing the atoms off of each other.
The distance that atoms can move during individual minimization steps
can be quite large, especially at the beginning of a minimization.
Thus `neighbor list settings <neigh_modify>` of *every = 1* and
Thus :doc:`neighbor list settings <neigh_modify>` of *every = 1* and
*delay = 0* are **required**. This may be combined with either
*check = no* (always update the neighbor list) or *check = yes* (only
update the neighbor list if at least one atom has moved more than
half the `neighbor list skin <neighbor>` distance since the last
half the :doc:`neighbor list skin <neighbor>` distance since the last
reneighboring). Using *check = yes* is recommended since it avoids
unneeded reneighboring steps when the system is closer to the minimum
and thus atoms move only small distances. Using *check = no* may
be required for debugging or when coupling LAMMPS with external
codes that require a predictable sequence of neighbor list updates.
and thus atoms move only small distances. Using *check = no* may be
required for debugging or when coupling LAMMPS with external codes
that require a predictable sequence of neighbor list updates.
If the settings are **not** *every = 1* and *delay = 0*, LAMMPS
will temporarily apply a `neigh_modify every 1 delay 0 check yes
If the settings are **not** *every = 1* and *delay = 0*, LAMMPS will
temporarily apply a :doc:`neigh_modify every 1 delay 0 check yes
<neigh_modify>` setting during the minimization and restore the
original setting at the end of the minimization. A corresponding
message will be printed to the screen and log file, if this happens.

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@ -142,10 +142,11 @@ the :doc:`atom_style ellipsoid <atom_style>` command.
Related commands
""""""""""""""""
:doc:`pair_coeff <pair_coeff>`, :doc:`fix nve/asphere
:doc:<fix_nve_asphere>`, `compute temp/asphere <compute_temp_asphere>`,
:doc::doc:`pair_style resquared <pair_resquared>`, :doc:`pair_style
:doc:gayberne <pair_gayberne>`
:doc:`pair_coeff <pair_coeff>`,
:doc:`fix nve/asphere <fix_nve_asphere>`,
:doc:`compute temp/asphere <compute_temp_asphere>`,
:doc:`pair_style resquared <pair_resquared>`,
:doc:`pair_style gayberne <pair_gayberne>`
Default
"""""""