spelling and improved consistency with other doc pages

This commit is contained in:
Axel Kohlmeyer
2022-09-14 14:16:22 -04:00
parent 15bc70ae4d
commit e415eddee5
5 changed files with 42 additions and 37 deletions

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@ -702,7 +702,7 @@ The *skip* keyword can be used with all dump styles. It allows a dump
snapshot to be skipped (not written to the dump file), if a condition
is met. The condition is computed by an :doc:`equal-style variable
<variable>`, which should be specified as v_name, where name is the
variable name. If the variable evaulation returns a non-zero value,
variable name. If the variable evaluation returns a non-zero value,
then the dump snapshot is skipped. If it returns zero, the dump
proceeds as usual. Note that :doc:`equal-style variable <variable>`
can contain Boolean operators which effectively evaluate as a true
@ -718,12 +718,12 @@ value.
The *sort* keyword determines whether lines of per-atom output in a
snapshot are sorted or not. A sort value of *off* means they will
typically be written in indeterminate order, either in serial or
parallel. This is the case even in serial if the :doc:`atom_modify
sort <atom_modify>` option is turned on, which it is by default, to
improve performance. A sort value of *id* means sort the output by
atom ID. A sort value of N or -N means sort the output by the value
in the Nth column of per-atom info in either ascending or descending
order.
parallel. This is the case even in serial if the :doc:`atom_modify sort
<atom_modify>` option is turned on, which it is by default, to improve
performance. A sort value of *id* means sort the output by atom ID. A
sort value of :math:`N` or :math:`-N` means sort the output by the value
in the :math:`N`\ th column of per-atom info in either ascending or
descending order.
The dump *local* style cannot be sorted by atom ID, since there are
typically multiple lines of output per atom. Some dump styles, such
@ -766,7 +766,7 @@ attributes that can be tested for are the same as those that can be
specified in the :doc:`dump custom <dump>` command, with the exception
of the *element* attribute, since it is not a numeric value. Note
that a different attributes can be used than those output by the
:doc:`dump custom <dump>` command. E.g. you can output the
:doc:`dump custom <dump>` command. For example, you can output the
coordinates and stress of atoms whose energy is above some threshold.
If an atom-style variable is used as the attribute, then it can

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@ -8,12 +8,12 @@ Syntax
.. parsed-literal::
fix ID group-ID pair N pairstyle name flag ...
fix ID group-ID pair N pstyle name flag ...
* ID, group-ID are documented in :doc:`fix <fix>` command
* pair = style name of this fix command
* N = invoke this fix once every N timesteps
* pairstyle = name of pair style to extract info from (e.g. eam)
* pstyle = name of pair style to extract info from (e.g. eam)
* one or more name/flag pairs can be listed
* name = name of quantity the pair style allows extraction of
* flag = 1 if pair style needs to be triggered to produce data for name, 0 if not
@ -46,7 +46,7 @@ These are example use cases:
The *N* argument determines how often the fix is invoked.
The *pairstyle* argument is the name of the pair style. It can be a
The *pstyle* argument is the name of the pair style. It can be a
sub-style used in a :doc:`pair_style hybrid <pair_hybrid>` command.
One or more *name/flag* pairs of arguments follow. Each *name* is a
@ -55,11 +55,11 @@ request. See the doc pages for individual :doc:`pair_styles
<pair_style>` to see what fix pair requests (if any) they support.
The *flag* setting determines whether this fix will also trigger the
pair style to compute the named quantity so it can be extracted. If
the quantity is always computed by the pair style, no trigger is
needed; specify *flag* = 0. If the quantity is not always computed
(e.g. it is expensive to calculate), then specify *flag* = 1. This
will trigger the quantity to be calculated only on timesteps it is
pair style to compute the named quantity so it can be extracted. If the
quantity is always computed by the pair style, no trigger is needed;
specify *flag* = 0. If the quantity is not always computed
(e.g. because it is expensive to calculate), then specify *flag* = 1.
This will trigger the quantity to be calculated only on timesteps it is
needed. Again, see the doc pages for individual :doc:`pair_styles
<pair_style>` to determine which fix pair requests (if any) need to be
triggered with a *flag* = 1 setting.
@ -71,12 +71,16 @@ atom, then this fix stores it as a per-atom vector. Otherwise a
per-atom array is created, with its data in the order of the *name*
arguments.
For example, :doc:`pair_style amoeba <pair_amoeba>` allows extraction
of two named quantities: "uind" and "uinp", both of which are
3-vectors for each atom, i.e. dipole moments. If this fix specifies
"uind" and "uinp" (in that order), then a 6-column per-atom array will
be created. Columns 1-3 will store the "uind" values; columns 4-6
will store the "uinp" values.
For example, :doc:`pair_style amoeba <pair_amoeba>` allows extraction of
two named quantities: "uind" and "uinp", both of which are 3-vectors for
each atom, i.e. dipole moments. In the example below a 6-column per-atom
array will be created. Columns 1-3 will store the "uind" values;
columns 4-6 will store the "uinp" values.
.. code-block:: LAMMPS
pair_style amoeba
fix ex all pair amoeba 10 uind 0 uinp 0
Restart, fix_modify, output, run start/stop, minimize info
"""""""""""""""""""""""""""""""""""""""""""""""""""""""""""

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@ -158,15 +158,15 @@ settings.
.. versionadded:: TBD
The *amoeba* and *hippo* pair styles support extraction of two
per-atom quantities by the :doc:`fix pair <fix_pair>` command. This
allows the quantities to be output to files by the :doc:`dump <dump>`
or otherwise processed by other LAMMPS commamds.
The *amoeba* and *hippo* pair styles support extraction of two per-atom
quantities by the :doc:`fix pair <fix_pair>` command. This allows the
quantities to be output to files by the :doc:`dump <dump>` or otherwise
processed by other LAMMPS commands.
The names of the two quantites are "uind" and "uinp" for the induced
dipole moments for each atom. Neither quantity needs to be triggered
by the :doc:`fix pair <fix_pair>` command in order for these pair
styles to calculate it.
The names of the two quantities are "uind" and "uinp" for the induced
dipole moments for each atom. Neither quantity needs to be triggered by
the :doc:`fix pair <fix_pair>` command in order for these pair styles to
calculate it.
----------

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@ -447,15 +447,14 @@ identical to the FS EAM files (see above).
.. versionadded:: TBD
The *eam*, *eam/alloy*, *eam/fs*, and *eam/he* pair styles support
extraction of two per-atom quantities by the :doc:`fix pair
<fix_pair>` command. This allows the quantities to be output to files
by the :doc:`dump <dump>` or otherwise processed by other LAMMPS
commamds.
extraction of two per-atom quantities by the :doc:`fix pair <fix_pair>`
command. This allows the quantities to be output to files by the
:doc:`dump <dump>` or otherwise processed by other LAMMPS commands.
The names of the two quantites are "rho" and "fp" for the density and
The names of the two quantities are "rho" and "fp" for the density and
derivative of the embedding energy for each atom. Neither quantity
needs to be triggered by the :doc:`fix pair <fix_pair>` command in
order for these pair styles to calculate it.
needs to be triggered by the :doc:`fix pair <fix_pair>` command in order
for these pair styles to calculate it.
----------

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@ -3581,7 +3581,9 @@ UEF
ufm
Uhlenbeck
Ui
uind
uInfParallel
uinp
uk
ul
ulb