Actions:
@@ -361,7 +362,7 @@ in the command's documentation.These are commands contributed by users, which can be used if LAMMPS
diff --git a/doc/Section_commands.txt b/doc/Section_commands.txt
index 082ef2c076..9f61187228 100644
--- a/doc/Section_commands.txt
+++ b/doc/Section_commands.txt
@@ -313,7 +313,8 @@ Output:
"dump_modify"_dump_modify.html, "restart"_restart.html,
"thermo"_thermo.html, "thermo_modify"_thermo_modify.html,
"thermo_style"_thermo_style.html, "undump"_undump.html,
-"write_data"_write_data.html, "write_restart"_write_restart.html
+"write_data"_write_data.html, "write_dump"_write_dump.html,
+"write_restart"_write_restart.html
Actions:
@@ -428,6 +429,7 @@ in the command's documentation.
"variable"_variable.html,
"velocity"_velocity.html,
"write_data"_write_data.html,
+"write_dump"_write_dump.html,
"write_restart"_write_restart.html :tb(c=6,ea=c)
These are commands contributed by users, which can be used if "LAMMPS
diff --git a/doc/velocity.html b/doc/velocity.html
index 372b008ca7..69afb8b6ca 100644
--- a/doc/velocity.html
+++ b/doc/velocity.html
@@ -13,7 +13,7 @@
Syntax:
Syntax:
+ Examples:
+ Description:
+ Dump a single snapshot of atom quantities to one or more files for the
+current state of the system. This is a one-time operation, in
+contrast to the dump command which will write out multiple
+snapshots periodically during a running simulation.
+ The syntax for this command is identical to that of the
+dump and dump_modify commands as if
+they were concatenated together, with one exception. This is so that
+the full range of dump_modify options can be
+specified for the single snapshot, just as they can be for multiple
+snapshots. The syntax exception is that if a second set of
+dump-modify-args is specified, they must be preceeded by the "modify"
+keyword, so that LAMMPS can cleanly separate the two sets of args.
+ Note that the dump ID and frequency N arguments are ignored, since
+they are irrelevant when only a single snapshot is being written.
+ Also note that if the specified filename uses the wildcard characters
+"*" or "%", as supported by the dump commmand, they will
+operate in the same fashion to create the new filename(s).
+ Restrictions:
+ All restrictions for the dump and
+dump_modify commands apply to this command as well.
+For the dump image dump style, this means the
+filename is required to contain a '*' character, which will be
+replaced by the current timestep.
+ Since dumps are normally written during a run or energy
+minimization, the simulation has to be ready to run
+before this command can be used. Similarly, if the dump requires
+information from a compute, fix, or variable, the information needs to
+have been calculated for the current timestep (e.g. by a prior run),
+else LAMMPS will generate an error message.
+ For example, it is not possible to dump per-atom energy with this
+command before a run has been performed, since no energies and forces
+have yet been calculated. See the variable doc page
+sectinn on Variable Accuracy for more information on this topic.
+ Related commands:
+ dump, dump image, dump_modify
+ Default:
+ The defaults are listed on the doc pages for the dump and
+dump image and dump_modify
+commands.
+velocity group-ID style args keyword args ...
+
velocity group-ID style args keyword value ...
+
+write_dump command
+
+write_dump ID group-ID style N file dump-args modify dump-modify-args
+
+
+write_dump 1 all atom 0 dump.atom
+write_dump 1 subgroup atom 0 dump.run.bin
+write_dump 1 all custom 0 dump.myforce.* id type x y vx fx
+write_dump 1 flow custom 0 dump.%.myforce id type c_myF[3] v_ke modify sort id
+write_dump 1 all xyz 0 system.xyz modify sort id elements O H
+write_dump 1 all image 0 snap*.jpg type type size 960 960 modify backcolor white
+write_dump 1 all image 0 snap*.jpg element element &
+ bond atom 0.3 shiny 0.1 ssao yes 6345 0.2 size 1600 1600 &
+ modify backcolor white element C C O H N C C C O H H S O H
+
+
+
+