diff --git a/doc/src/dump_modify.rst b/doc/src/dump_modify.rst index d3611e0ba9..b791395259 100644 --- a/doc/src/dump_modify.rst +++ b/doc/src/dump_modify.rst @@ -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 ` command. The -*every* keyword also sets the interval value, which overrides the dump -frequency originally specified by the :doc:`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 ` 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 +` 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 ` +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