Minor documentation edits

This commit is contained in:
Karl Hammond
2022-10-06 22:12:33 -05:00
parent d5757a976e
commit 2fed3fa003

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@ -66,10 +66,10 @@ atom can be "lost" if it moves across a non-periodic simulation box
:doc:`boundary <boundary>` or if it moves more than a box length outside
the simulation domain (or more than a processor sub-domain length)
before reneighboring occurs. The latter case is typically due to bad
dynamics, e.g. too large a timestep or huge forces and velocities. If
dynamics (e.g., too large a time step and/or huge forces and velocities). If
the value is *ignore*, LAMMPS does not check for lost atoms. If the
value is *error* or *warn*, LAMMPS checks and either issues an error or
warning. The code will exit with an error and continue with a warning.
warning. The simulation will exit with an error and continue with a warning.
A warning will only be issued once, the first time an atom is lost.
This can be a useful debugging option.
@ -90,10 +90,10 @@ that should be investigated, but LAMMPS cannot determine for
certain whether they are an indication of an error.
Some warning messages are printed during a run (or immediately before)
each time a specific MPI rank encounters the issue, e.g. bonds that are
stretched too far or dihedrals in extreme configurations. These number
each time a specific MPI rank encounters the issue (e.g., bonds that are
stretched too far or dihedrals in extreme configurations). These number
of these can quickly blow up the size of the log file and screen output.
Thus a limit of 100 warning messages is applied by default. The warning
Thus, a limit of 100 warning messages is applied by default. The warning
count is applied to the entire input unless reset with a ``thermo_modify
warn reset`` command. If there are more warnings than the limit, LAMMPS
will print one final warning that it will not print any additional
@ -161,8 +161,8 @@ for a column or field of thermodynamic output. The setting for *ID
string* replaces the default text with the provided string. *ID* can be
a positive integer when it represents the column number counting from
the left, a negative integer when it represents the column number from
the right (i.e. -1 is the last column/keyword), or a thermo keyword (or
compute, fix, property, or variable reference) and then it replaces the
the right (i.e., :math:`-1` is the last column/keyword), or a thermo keyword
(or compute, fix, property, or variable reference) and then it replaces the
string for that specific thermo keyword.
The *colname* keyword can be used multiple times. If multiple *colname*
@ -172,10 +172,10 @@ to their default values.
The *format* keyword can be used to change the default numeric format of
any of quantities the :doc:`thermo_style <thermo_style>` command
outputs. All the specified format strings are C-style formats, e.g. as
used by the C/C++ printf() command. The *line* keyword takes a single
outputs. All the specified format strings are C-style formats (i.e., as
used by the C/C++ printf() command). The *line* keyword takes a single
argument which is the format string for the entire line of thermo
output, with N fields, which you must enclose in quotes if it is more
output, with :math:`N` fields, which you must enclose in quotes if it is more
than one field. The *int* and *float* keywords take a single format
argument and are applied to all integer or floating-point quantities
output. The setting for *ID string* also takes a single format argument
@ -205,8 +205,8 @@ settings, reverting all values to their default format.
to the corresponding 8-byte form when it is applied to those
keywords. However, when specifying the *line* option or *format ID
string* option for *step* and *natoms*, you should specify a format
string appropriate for an 8-byte signed integer, e.g. one with "%ld"
or "%lld" depending on the platform.
string appropriate for an 8-byte signed integer (i.e., one with "%ld"
or "%lld", depending on the platform).
The *temp* keyword is used to determine how thermodynamic temperature is
calculated, which is used by all thermo quantities that require a