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clarify dump_modify doc page meaning for every and every/time

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This commit is contained in:
Steve Plimpton
2022-09-01 10:01:08 -06:00
parent 4cff211a5e
commit 566ea864b8
1 changed files with 17 additions and 9 deletions
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26
doc/src/dump_modify.rst
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@ -35,10 +35,10 @@ Syntax
*element* args = E1 E2 ... EN, where N = # of atom types
E1,...,EN = element name (e.g., C or Fe or Ga)
*every* arg = N
N = dump every this many timesteps
N = dump on timesteps which are a multiple of N
N can be a variable (see below)
*every/time* arg = Delta
Delta = dump every this interval in simulation time (time units)
Delta = dump once every Delta interval of simulation time (time units)
Delta can be a variable (see below)
*fileper* arg = Np
Np = write one file for every this many processors
@ -207,13 +207,10 @@ will be accepted.
----------
The *every* keyword can be used with any dump style except the *dcd*
and *xtc* styles. It does two things. It specifies that the interval
between dump snapshots will be set in timesteps, which is the default
if the *every* or *every/time* keywords are not used. See the
*every/time* keyword for how to specify the interval in simulation
time, i.e. in time units of the :doc:`units <units>` command. The
*every* keyword also sets the interval value, which overrides the dump
frequency originally specified by the :doc:`dump <dump>` command.
and *xtc* styles. It specifies that the output of dump snapshots will
now be performed on timesteps which are a multiple of a new :math:`N`
value, This overrides the dump frequency originally specified by the
:doc:`dump <dump>` command.
The *every* keyword can be specified in one of two ways. It can be a
numeric value in which case it must be > 0. Or it can be an
@ -273,6 +270,17 @@ in file tmp.times:
----------
The *every/time* keyword can be used with any dump style except the
*dcd* and *xtc* styles. It changes the frequency of dump snapshots
from being based on the current timestep to being determined by
elapsed simulation time, i.e. in time units of the :doc:`units
<units>` command, and specifies *Delta* for the interval between
snapshots. This can be useful when the timestep size varies during a
simulation run, e.g. by use of the :doc:`fix dt/reset <fix_dt_reset>`
command. The default is to perform output on timesteps which a
multiples of specified timestep value :math:`N`; see the *every*
keyword.
The *every/time* keyword can be used with any dump style except the
*dcd* and *xtc* styles. It does two things. It specifies that the
interval between dump snapshots will be set in simulation time