The dump file is scanned for a snapshot with a time stamp that matches the specified Nstep. This means the LAMMPS timestep the dump file -snapshot was written on for the native format. However, the xyz +snapshot was written on for the native format. Note that the xyz and molfile formats do not store the timestep. For these formats, timesteps are numbered logically, in a sequential manner, starting from 0. Thus to access the 10th snapshot in an xyz or mofile diff --git a/doc/read_dump.txt b/doc/read_dump.txt index 4a8a4a16ca..2d78fab3bb 100644 --- a/doc/read_dump.txt +++ b/doc/read_dump.txt @@ -121,7 +121,7 @@ and box information. The dump file is scanned for a snapshot with a time stamp that matches the specified {Nstep}. This means the LAMMPS timestep the dump file -snapshot was written on for the {native} format. However, the {xyz} +snapshot was written on for the {native} format. Note that the {xyz} and {molfile} formats do not store the timestep. For these formats, timesteps are numbered logically, in a sequential manner, starting from 0. Thus to access the 10th snapshot in an {xyz} or {mofile} diff --git a/doc/rerun.html b/doc/rerun.html index 75a5dbafe5..52ea2d9e9d 100644 --- a/doc/rerun.html +++ b/doc/rerun.html @@ -115,17 +115,21 @@ every Nth snapshot is read, where N = Nskip. E.g. if Nskip = 3, then only 1 out of every 3 snapshots is read, assuming the snapshot timestamp is also consistent with the other criteria.
-The start and stop keywords have the same meaning that they do for -the run command. They only need to be defined if (a) you -are using a fix command that changes some value over time, -and (b) you want the reference point for elapsed time (from start to -stop) to be different than the first and last settings. See the -doc page for individual fixes to see which ones can be used with the -start/stop keywords. Note that if you define neither of the -start/stop or first/last keywords, then LAMMPS treats the +
The start and stop keywords do not affect which snapshots are read +from the dump file(s). Rather, they have the same meaning that they +do for the run command. They only need to be defined if +(a) you are using a fix command that changes some value +over time, and (b) you want the reference point for elapsed time (from +start to stop) to be different than the first and last settings. +See the doc page for individual fixes to see which ones can be used +with the start/stop keywords. Note that if you define neither of +the start/stop or first/last keywords, then LAMMPS treats the pseudo run as going from 0 to a huge value (effectively infinity). This means that any quantity that a fix scales as a fraction of elapsed time in the run, will essentially remain at its intiial value. +Also note that an error will occur if you read a snapshot from the +dump file with a timestep value larger than the stop setting you +have specified.
The dump keyword is required and must be the last keyword specified. Its arguments are passed internally to the read_dump @@ -161,9 +165,9 @@ atoms are acquired from far enough away for operations like bond and angle evaluations, if no pair style is being used.
Every time a snapshot is read, the timestep for the simulation is -reset, as if the >reset_timestep command were +reset, as if the reset_timestep command were used. This command has some restrictions as to what fixes can be -defined. See its doc page for details. For example, the fix +defined. See its doc page for details. For example, the fix deposit and fix dt/reset fixes are in this category. They also make no sense to use with a rerun command. diff --git a/doc/rerun.txt b/doc/rerun.txt index b79b9f14c6..097f89321e 100644 --- a/doc/rerun.txt +++ b/doc/rerun.txt @@ -109,17 +109,21 @@ every Nth snapshot is read, where N = {Nskip}. E.g. if {Nskip} = 3, then only 1 out of every 3 snapshots is read, assuming the snapshot timestamp is also consistent with the other criteria. -The {start} and {stop} keywords have the same meaning that they do for -the "run"_run.html command. They only need to be defined if (a) you -are using a "fix"_fix.html command that changes some value over time, -and (b) you want the reference point for elapsed time (from start to -stop) to be different than the {first} and {last} settings. See the -doc page for individual fixes to see which ones can be used with the -{start/stop} keywords. Note that if you define neither of the -{start}/{stop} or {first}/{last} keywords, then LAMMPS treats the +The {start} and {stop} keywords do not affect which snapshots are read +from the dump file(s). Rather, they have the same meaning that they +do for the "run"_run.html command. They only need to be defined if +(a) you are using a "fix"_fix.html command that changes some value +over time, and (b) you want the reference point for elapsed time (from +start to stop) to be different than the {first} and {last} settings. +See the doc page for individual fixes to see which ones can be used +with the {start/stop} keywords. Note that if you define neither of +the {start}/{stop} or {first}/{last} keywords, then LAMMPS treats the pseudo run as going from 0 to a huge value (effectively infinity). This means that any quantity that a fix scales as a fraction of elapsed time in the run, will essentially remain at its intiial value. +Also note that an error will occur if you read a snapshot from the +dump file with a timestep value larger than the {stop} setting you +have specified. The {dump} keyword is required and must be the last keyword specified. Its arguments are passed internally to the "read_dump"_read_dump.html @@ -157,7 +161,7 @@ angle evaluations, if no pair style is being used. Every time a snapshot is read, the timestep for the simulation is reset, as if the "reset_timestep"_reset_timestep.html command were used. This command has some restrictions as to what fixes can be -defined. See its doc page for details. For example, the fix +defined. See its doc page for details. For example, the "fix deposit"_fix_deposit.html and "fix dt/reset"_fix_dt_reset.html fixes are in this category. They also make no sense to use with a rerun command.