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implement "thermo_modify warn" to control amount of warnings

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This commit is contained in:
Axel Kohlmeyer
2021-05-03 14:21:16 -04:00
parent b4a70880d9
commit f0cc70b29a
5 changed files with 73 additions and 16 deletions
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20
doc/src/thermo_modify.rst
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@ -11,12 +11,13 @@ Syntax
thermo_modify keyword value ...
* one or more keyword/value pairs may be listed
* keyword = *lost* or *lost/bond* or *norm* or *flush* or *line* or *format* or *temp* or *press*
* keyword = *lost* or *lost/bond* or *warn* or *norm* or *flush* or *line* or *format* or *temp* or *press*
.. parsed-literal::
*lost* value = *error* or *warn* or *ignore*
*lost/bond* value = *error* or *warn* or *ignore*
*warn* value = *ignore* or *reset* or *default* or a number
*norm* value = *yes* or *no*
*flush* value = *yes* or *no*
*line* value = *one* or *multi*
@ -75,6 +76,23 @@ are drifting out of the box through a fixed boundary condition (see
the :doc:`boundary <boundary>` command). In this case one atom may be
deleted before the rest of the molecule is, on a later timestep.
The *warn* keyword determines whether LAMMPS will print warning
messages and how many of them. Certain warning messages can be
quite verbose and thus quickly blow up the size of the log file
and screen output. Thus a limit of 100 warnings messages is applied
by default. If there are more warnings, LAMMPS will print one final
warning that it will not print any additional warning messages.
Any number after the keyword *warn* will change the warning limit
accordingly. With the value *ignore* all warnings will be suppressed,
with the value *always* no limit will be applied and warnings will
always be printed, with the value *reset* the internal warning
counter will be reset to zero, and with the value *default*, all
settings will be reset to their defaults and the counter reset.
An example usage of this keyword would be that during equilibration
warnings would be ignored while the system is still adjusting, but
then one would reset everything to the defaults for the production
run.
The *norm* keyword determines whether various thermodynamic output
values are normalized by the number of atoms or not, depending on
whether it is set to *yes* or *no*\ . Different unit styles have