forked from lijiext/lammps
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8333 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
sjplimp
parent
459ac110a8
commit
5d8c187ee8
|
|
@ -39,7 +39,12 @@
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field = one of the listed fields or <I>id</I> or <I>type</I>
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column = label on corresponding column in dump file
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<I>scaled</I> value = <I>yes</I> or <I>no</I> = coords in dump file are scaled/unscaled
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<I>format</I> value = <I>native</I> = format of dump file
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<I>format</I> values = format of dump file, must be last keyword if used
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<I>native</I> = native LAMMPS dump file
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<I>xyz</I> = XYZ file
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<I>molfile</I> style path = VMD molfile plugin interface
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style = <I>dcd</I> or <I>xyz</I> or others supported my mofile
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path = optional path for location of molfile plugins
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</PRE>
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</UL>
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@ -48,6 +53,10 @@
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<PRE>read_dump dump.file 5000 x y z
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read_dump dump.file 5000 x y vx vy trim yes
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read_dump ../run7/dump.file.gz 10000 x y z box yes
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read_dump dump.xyz 5 x y z box no format xyz
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read_dump dump.xyz 10 x y z box no format molfile xyz ../plugins
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read_dump dump.dcd 0 x y z format molfile dcd
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read_dump dump.file 1000 x y z vx vy vz format molfile lammpstrj /usr/local/lib/vmd/plugins/LINUXAMD64/plugins/molfile
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</PRE>
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<P><B>Description:</B>
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</P>
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@ -78,36 +87,80 @@ command, after the dump snapshot is read.
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</P>
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<HR>
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<P>The dump file must be in native LAMMPS format, meaning it was written
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with a "dump atom".html or <A HREF = "dump.html">dump custom</A> command. Support
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for other dump file formats may be added in the future. These will be
|
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added as options to the <I>format</I> keyword.
|
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<P>If the dump filename specified as <I>file</I> ends with ".gz", the dump
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file is read in gzipped format. You cannot (yet) read a dump file
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that was written in binary format with a ".bin" suffix, or to multiple
|
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files via the "%" option in the dump file name. See the
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<A HREF = "dump.html">dump</A> command for details.
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</P>
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<P>If the filename ends with ".gz", the dump file is read in gzipped
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format. You cannot (yet) read a dump file that was written in binary
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format with a ".bin" suffix, or to multiple files via the "%" option
|
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in the dump file name. See the <A HREF = "dump.html">dump</A> command for details.
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<P>The format of the dump file is selected through the <I>format</I> keyword.
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If specified, it must be the last keyword used, since all remaining
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arguments are passed on to the dump reader. The <I>native</I> format is
|
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for native LAMMPS dump files, written with a "dump atom".html or <A HREF = "dump.html">dump
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custom</A> command. The <I>xyz</I> format is for generic XYZ
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formatted dump files,
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</P>
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<P>The <I>molfile</I> format supports reading data through using the <A HREF = "vmd">VMD</A>
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molfile plugin interface. This dump reader format is only available,
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if the USER-MOLFILE package has been installed when compiling
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LAMMPS.
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</P>
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<P>The <I>molfile</I> format takes one or two additional values. The <I>style</I>
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value determines the file format to be used and can be any format that
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the molfile plugins support, such as DCD or XYZ. Note that DCD dump
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files can be written by LAMMPS via the <A HREF = "dump.html">dump dcd</A> command.
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The <I>path</I> value specifies a list of directories which LAMMPS will
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search for the molfile plugins appropriate to the specified <I>style</I>.
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The syntax of the <I>path</I> value is like other search paths: it can
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contain multiple directories separated by a colon (or semi-colon on
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windows). The <I>path</I> keyword is optional and defaults to ".",
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i.e. the current directory.
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</P>
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<P>Support for other dump format readers may be added in the future.
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</P>
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<HR>
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<P>Global information is first read from the dump file, namely timestep
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and box information.
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</P>
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<P>The dump file is scanned for a snapshot with a time stamp that matches
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the specified <I>Nstep</I>. The dimensions of the simulation box for that
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snapshot are also read; see the <I>box</I> keyword discussion below. An
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error is generated if the snapshot is for a triclinic box and the
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current simulation box is orthogonal or vice versa. A warning will be
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generated if the snapshot box boundary conditions (periodic,
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the specified <I>Nstep</I>. This means the LAMMPS timestep the dump file
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snapshot was written on for the <I>native</I> format. However, the <I>xyz</I>
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and <I>molfile</I> formats do not store the timestep. For these formats,
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timesteps are numbered logically, in a sequential manner, starting
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from 0. Thus to access the 10th snapshot in an <I>xyz</I> or <I>mofile</I>
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formatted dump file, use <I>Nstep</I> = 9.
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</P>
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<P>The dimensions of the simulation box for the selected snapshot are
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also read; see the <I>box</I> keyword discussion below. For the <I>native</I>
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format, an error is generated if the snapshot is for a triclinic box
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and the current simulation box is orthogonal or vice versa. A warning
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will be generated if the snapshot box boundary conditions (periodic,
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shrink-wrapped, etc) do not match the current simulation boundary
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conditions, but the boundary condition information in the snapshot is
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otherwise ignored. See the "boundary" command for more details.
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</P>
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<P>Per-atom information from the dump file snapshot is then read in,
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corresponding to the specified <I>fields</I> listed in the read_dump
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command. It is an error to specify a z-dimension field (<I>z</I>, <I>vz</I>,
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<I>iz</I>) for a 2d simulation.
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<P>For the <I>xyz</I> format, no information about the box is available, so
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you must set the <I>box</I> flag to <I>no</I>. See details below.
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</P>
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<P>For dump files in native LAMMPS format, each column of per-atom data
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has a text label which is listed in the file. A matching label for
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each field must appear, e.g. the label "vy" for the field <I>vy</I>. For
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the <I>x</I>, <I>y</I>, <I>z</I> fields any of the following labels are considered a
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match:
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<P>For the <I>molfile</I> format, reading simulation box information is
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typically supported, but the location of the simulation box origin is
|
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lost and no explicit information about periodicity or
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orthogonal/triclinic box shape is available. The USER-MOLFILE package
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makes a best effort to guess based on heuristics, but this may not
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always work perfectly.
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</P>
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<HR>
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<P>Per-atom information from the dump file snapshot is then read from the
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dump file snapshot. This corresponds tot the specified <I>fields</I>
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listed in the read_dump command. It is an error to specify a
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z-dimension field, namely <I>z</I>, <I>vz</I>, or <I>iz</I>, for a 2d simulation.
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</P>
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<P>For dump files in <I>native</I> format, each column of per-atom data has a
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text label listed in the file. A matching label for each field must
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appear, e.g. the label "vy" for the field <I>vy</I>. For the <I>x</I>, <I>y</I>, <I>z</I>
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fields any of the following labels are considered a match:
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</P>
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<PRE>x, xs, xu, xsu for field <I>x</I>
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y, ys, yu, ysu for field <I>y</I>
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@ -120,6 +173,10 @@ file, in order, until a match is found.
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</P>
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<P>The dump file must also contain atom IDs, with a column label of "id".
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</P>
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<P>If the <I>add</I> keyword is specified with a value of <I>yes</I>, as discussed
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below, the dump file must contain atom types, with a column label of
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"type".
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</P>
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<P>If a column label in the dump file is not a match to a specified
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field, the <I>label</I> keyword can be used to specify which column label
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to associate with that field. An example is if a time-averaged
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@ -127,9 +184,25 @@ coordinate is written to the dump file via the <A HREF = "fix_ave_atom.html">fix
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ave/atom</A> command. The column will then have a
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label corresponding to the fix-ID rather than "x" or "xs". The
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<I>label</I> keyword can also be used to specify new column labels for
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fields <I>id</I> and <I>type</I>. Information for atom types is needed from the
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dump file shapshot when the <I>add</I> keyword is used; see the discussion
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below.
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fields <I>id</I> and <I>type</I>.
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</P>
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<P>For dump files in <I>xyz</I> format, only the <I>x</I>, <I>y</I>, and <I>z</I> fields are
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supported. The dump file does not store atom IDs, so these are
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assigned consecutively to the atoms as they appear in the dump file,
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starting from 1. Thus you should insure that order of atoms is
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consistent from snapshot to snapshot in the the XYZ dump file. See
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the <A HREF = "dump_modify.html">dump_modify sort</A> command if the XYZ dump file
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was written by LAMMPS.
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</P>
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<P>For dump files in <I>molfile</I> format, the <I>x</I>, <I>y</I>, <I>z</I>, <I>vx</I>, <I>vy</I>, and
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<I>vz</I> fields can be specified. However, not all molfile formats store
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velocities, or their respective plugins may not support reading of
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velocities. The molfile dump files do not store atom IDs, so these
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are assigned consecutively to the atoms as they appear in the dump
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file, starting from 1. Thus you should insure that order of atoms are
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||||
consistent from snapshot to snapshot in the the molfile dump file.
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See the <A HREF = "dump_modify.html">dump_modify sort</A> command if the dump file
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was written by LAMMPS.
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</P>
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<HR>
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@ -164,17 +237,18 @@ specified with a <I>no</I> value.
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</P>
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<P>If the <I>add</I> keyword is specified with a <I>yes</I> value, then atoms with
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IDs that are in the dump snapshot, but not in the current system are
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added to the system. These dump atoms ignored if the <I>add</I> keyword is
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||||
specified with a <I>no</I> value.
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added to the system. These dump atoms are ignored if the <I>add</I>
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keyword is specified with a <I>no</I> value.
|
||||
</P>
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<P>Note that atoms added via the <I>add</I> keyword will have only the
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attributes read from the dump file due to the <I>field</I> arguments. If
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<I>x</I> or <I>y</I> or <I>z</I> is not specified as a field, a value of 0.0 is used
|
||||
for added atoms. Added atoms must have an atom type, so this per-atom
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attribute must also appear in the dump file snapshot, with a column
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label of "type". Any other attributes (e.g. charge or particle
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diameter for spherical particles) will be set to default values, the
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||||
same as if the <A HREF = "create_atoms.html">create_atoms</A> command were used.
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for added atoms. Added atoms must have an atom type, so this value
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must appear in the dump file.
|
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</P>
|
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<P>Any other attributes (e.g. charge or particle diameter for spherical
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particles) will be set to default values, the same as if the
|
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<A HREF = "create_atoms.html">create_atoms</A> command were used.
|
||||
</P>
|
||||
<P>Note that atom IDs are not preserved for new dump snapshot atoms added
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via the <I>add</I> keyword. The procedure for assigning new atom IDS to
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||||
|
|
@ -194,8 +268,9 @@ conditions apply, the new coordinates may change the current box
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dimensions. If fixed boundary conditions apply, the atom will be lost
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if it is outside the simulation box.
|
||||
</P>
|
||||
<P>The 3 xyz image flags for an atom in the dump file are set to values
|
||||
in the dump file if the <I>ix</I>, <I>iy</I>, <I>iz</I> fields are specified. If not
|
||||
<P>For <I>native</I> format dump files, the 3 xyz image flags for an atom in
|
||||
the dump file are set to the corresponding values appearing in the
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||||
dump file if the <I>ix</I>, <I>iy</I>, <I>iz</I> fields are specified. If not
|
||||
specified, the image flags for replaced atoms are not changed and
|
||||
image flags for new atoms are set to default values. The remapping
|
||||
procedure described in the previous paragraph can change images flags
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|
|
@ -228,10 +303,15 @@ generate absolute, unscaled coordinates.
|
|||
-DLAMMPS_GZIP option - see the <A HREF = "Section_start.html#start_2">Making
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||||
LAMMPS</A> section of the documentation.
|
||||
</P>
|
||||
<P>The <I>molfile</I> dump file formats are part of the USER-MOLFILE package.
|
||||
They are only enabled if LAMMPS was built with that packages. See the
|
||||
<A HREF = "Section_start.html#start_3">Making LAMMPS</A> section for more info.
|
||||
</P>
|
||||
<P><B>Related commands:</B>
|
||||
</P>
|
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<P><A HREF = "dump.html">dump</A>, <A HREF = "read_data.html">read_data</A>,
|
||||
<A HREF = "read_restart.html">read_restart</A>, <A HREF = "rerun.html">rerun</A>
|
||||
<P><A HREF = "dump.html">dump</A>, <A HREF = "dump_molfile.html">dump molfile</A>,
|
||||
<A HREF = "read_data.html">read_data</A>, <A HREF = "read_restart.html">read_restart</A>,
|
||||
<A HREF = "rerun.html">rerun</A>
|
||||
</P>
|
||||
<P><B>Default:</B>
|
||||
</P>
|
||||
|
|
|
|||
|
|
@ -30,14 +30,23 @@ keyword = {box} or {replace} or {purge} or {trim} or {add} or {label} or {scaled
|
|||
field = one of the listed fields or {id} or {type}
|
||||
column = label on corresponding column in dump file
|
||||
{scaled} value = {yes} or {no} = coords in dump file are scaled/unscaled
|
||||
{format} value = {native} = format of dump file :pre
|
||||
{format} values = format of dump file, must be last keyword if used
|
||||
{native} = native LAMMPS dump file
|
||||
{xyz} = XYZ file
|
||||
{molfile} style path = VMD molfile plugin interface
|
||||
style = {dcd} or {xyz} or others supported my mofile
|
||||
path = optional path for location of molfile plugins :pre
|
||||
:ule
|
||||
|
||||
[Examples:]
|
||||
|
||||
read_dump dump.file 5000 x y z
|
||||
read_dump dump.file 5000 x y vx vy trim yes
|
||||
read_dump ../run7/dump.file.gz 10000 x y z box yes :pre
|
||||
read_dump ../run7/dump.file.gz 10000 x y z box yes
|
||||
read_dump dump.xyz 5 x y z box no format xyz
|
||||
read_dump dump.xyz 10 x y z box no format molfile xyz ../plugins
|
||||
read_dump dump.dcd 0 x y z format molfile dcd
|
||||
read_dump dump.file 1000 x y z vx vy vz format molfile lammpstrj /usr/local/lib/vmd/plugins/LINUXAMD64/plugins/molfile :pre
|
||||
|
||||
[Description:]
|
||||
|
||||
|
|
@ -68,36 +77,80 @@ command, after the dump snapshot is read.
|
|||
|
||||
:line
|
||||
|
||||
The dump file must be in native LAMMPS format, meaning it was written
|
||||
with a "dump atom".html or "dump custom"_dump.html command. Support
|
||||
for other dump file formats may be added in the future. These will be
|
||||
added as options to the {format} keyword.
|
||||
If the dump filename specified as {file} ends with ".gz", the dump
|
||||
file is read in gzipped format. You cannot (yet) read a dump file
|
||||
that was written in binary format with a ".bin" suffix, or to multiple
|
||||
files via the "%" option in the dump file name. See the
|
||||
"dump"_dump.html command for details.
|
||||
|
||||
If the filename ends with ".gz", the dump file is read in gzipped
|
||||
format. You cannot (yet) read a dump file that was written in binary
|
||||
format with a ".bin" suffix, or to multiple files via the "%" option
|
||||
in the dump file name. See the "dump"_dump.html command for details.
|
||||
The format of the dump file is selected through the {format} keyword.
|
||||
If specified, it must be the last keyword used, since all remaining
|
||||
arguments are passed on to the dump reader. The {native} format is
|
||||
for native LAMMPS dump files, written with a "dump atom".html or "dump
|
||||
custom"_dump.html command. The {xyz} format is for generic XYZ
|
||||
formatted dump files,
|
||||
|
||||
The {molfile} format supports reading data through using the "VMD"_vmd
|
||||
molfile plugin interface. This dump reader format is only available,
|
||||
if the USER-MOLFILE package has been installed when compiling
|
||||
LAMMPS.
|
||||
|
||||
The {molfile} format takes one or two additional values. The {style}
|
||||
value determines the file format to be used and can be any format that
|
||||
the molfile plugins support, such as DCD or XYZ. Note that DCD dump
|
||||
files can be written by LAMMPS via the "dump dcd"_dump.html command.
|
||||
The {path} value specifies a list of directories which LAMMPS will
|
||||
search for the molfile plugins appropriate to the specified {style}.
|
||||
The syntax of the {path} value is like other search paths: it can
|
||||
contain multiple directories separated by a colon (or semi-colon on
|
||||
windows). The {path} keyword is optional and defaults to ".",
|
||||
i.e. the current directory.
|
||||
|
||||
Support for other dump format readers may be added in the future.
|
||||
|
||||
:line
|
||||
|
||||
Global information is first read from the dump file, namely timestep
|
||||
and box information.
|
||||
|
||||
The dump file is scanned for a snapshot with a time stamp that matches
|
||||
the specified {Nstep}. The dimensions of the simulation box for that
|
||||
snapshot are also read; see the {box} keyword discussion below. An
|
||||
error is generated if the snapshot is for a triclinic box and the
|
||||
current simulation box is orthogonal or vice versa. A warning will be
|
||||
generated if the snapshot box boundary conditions (periodic,
|
||||
the specified {Nstep}. This means the LAMMPS timestep the dump file
|
||||
snapshot was written on for the {native} format. However, 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}
|
||||
formatted dump file, use {Nstep} = 9.
|
||||
|
||||
The dimensions of the simulation box for the selected snapshot are
|
||||
also read; see the {box} keyword discussion below. For the {native}
|
||||
format, an error is generated if the snapshot is for a triclinic box
|
||||
and the current simulation box is orthogonal or vice versa. A warning
|
||||
will be generated if the snapshot box boundary conditions (periodic,
|
||||
shrink-wrapped, etc) do not match the current simulation boundary
|
||||
conditions, but the boundary condition information in the snapshot is
|
||||
otherwise ignored. See the "boundary" command for more details.
|
||||
|
||||
Per-atom information from the dump file snapshot is then read in,
|
||||
corresponding to the specified {fields} listed in the read_dump
|
||||
command. It is an error to specify a z-dimension field ({z}, {vz},
|
||||
{iz}) for a 2d simulation.
|
||||
For the {xyz} format, no information about the box is available, so
|
||||
you must set the {box} flag to {no}. See details below.
|
||||
|
||||
For dump files in native LAMMPS format, each column of per-atom data
|
||||
has a text label which is listed in the file. A matching label for
|
||||
each field must appear, e.g. the label "vy" for the field {vy}. For
|
||||
the {x}, {y}, {z} fields any of the following labels are considered a
|
||||
match:
|
||||
For the {molfile} format, reading simulation box information is
|
||||
typically supported, but the location of the simulation box origin is
|
||||
lost and no explicit information about periodicity or
|
||||
orthogonal/triclinic box shape is available. The USER-MOLFILE package
|
||||
makes a best effort to guess based on heuristics, but this may not
|
||||
always work perfectly.
|
||||
|
||||
:line
|
||||
|
||||
Per-atom information from the dump file snapshot is then read from the
|
||||
dump file snapshot. This corresponds tot the specified {fields}
|
||||
listed in the read_dump command. It is an error to specify a
|
||||
z-dimension field, namely {z}, {vz}, or {iz}, for a 2d simulation.
|
||||
|
||||
For dump files in {native} format, each column of per-atom data has a
|
||||
text label listed in the file. A matching label for each field must
|
||||
appear, e.g. the label "vy" for the field {vy}. For the {x}, {y}, {z}
|
||||
fields any of the following labels are considered a match:
|
||||
|
||||
x, xs, xu, xsu for field {x}
|
||||
y, ys, yu, ysu for field {y}
|
||||
|
|
@ -110,6 +163,10 @@ file, in order, until a match is found.
|
|||
|
||||
The dump file must also contain atom IDs, with a column label of "id".
|
||||
|
||||
If the {add} keyword is specified with a value of {yes}, as discussed
|
||||
below, the dump file must contain atom types, with a column label of
|
||||
"type".
|
||||
|
||||
If a column label in the dump file is not a match to a specified
|
||||
field, the {label} keyword can be used to specify which column label
|
||||
to associate with that field. An example is if a time-averaged
|
||||
|
|
@ -117,9 +174,25 @@ coordinate is written to the dump file via the "fix
|
|||
ave/atom"_fix_ave_atom.html command. The column will then have a
|
||||
label corresponding to the fix-ID rather than "x" or "xs". The
|
||||
{label} keyword can also be used to specify new column labels for
|
||||
fields {id} and {type}. Information for atom types is needed from the
|
||||
dump file shapshot when the {add} keyword is used; see the discussion
|
||||
below.
|
||||
fields {id} and {type}.
|
||||
|
||||
For dump files in {xyz} format, only the {x}, {y}, and {z} fields are
|
||||
supported. The dump file does not store atom IDs, so these are
|
||||
assigned consecutively to the atoms as they appear in the dump file,
|
||||
starting from 1. Thus you should insure that order of atoms is
|
||||
consistent from snapshot to snapshot in the the XYZ dump file. See
|
||||
the "dump_modify sort"_dump_modify.html command if the XYZ dump file
|
||||
was written by LAMMPS.
|
||||
|
||||
For dump files in {molfile} format, the {x}, {y}, {z}, {vx}, {vy}, and
|
||||
{vz} fields can be specified. However, not all molfile formats store
|
||||
velocities, or their respective plugins may not support reading of
|
||||
velocities. The molfile dump files do not store atom IDs, so these
|
||||
are assigned consecutively to the atoms as they appear in the dump
|
||||
file, starting from 1. Thus you should insure that order of atoms are
|
||||
consistent from snapshot to snapshot in the the molfile dump file.
|
||||
See the "dump_modify sort"_dump_modify.html command if the dump file
|
||||
was written by LAMMPS.
|
||||
|
||||
:line
|
||||
|
||||
|
|
@ -154,17 +227,18 @@ specified with a {no} value.
|
|||
|
||||
If the {add} keyword is specified with a {yes} value, then atoms with
|
||||
IDs that are in the dump snapshot, but not in the current system are
|
||||
added to the system. These dump atoms ignored if the {add} keyword is
|
||||
specified with a {no} value.
|
||||
added to the system. These dump atoms are ignored if the {add}
|
||||
keyword is specified with a {no} value.
|
||||
|
||||
Note that atoms added via the {add} keyword will have only the
|
||||
attributes read from the dump file due to the {field} arguments. If
|
||||
{x} or {y} or {z} is not specified as a field, a value of 0.0 is used
|
||||
for added atoms. Added atoms must have an atom type, so this per-atom
|
||||
attribute must also appear in the dump file snapshot, with a column
|
||||
label of "type". Any other attributes (e.g. charge or particle
|
||||
diameter for spherical particles) will be set to default values, the
|
||||
same as if the "create_atoms"_create_atoms.html command were used.
|
||||
for added atoms. Added atoms must have an atom type, so this value
|
||||
must appear in the dump file.
|
||||
|
||||
Any other attributes (e.g. charge or particle diameter for spherical
|
||||
particles) will be set to default values, the same as if the
|
||||
"create_atoms"_create_atoms.html command were used.
|
||||
|
||||
Note that atom IDs are not preserved for new dump snapshot atoms added
|
||||
via the {add} keyword. The procedure for assigning new atom IDS to
|
||||
|
|
@ -184,8 +258,9 @@ conditions apply, the new coordinates may change the current box
|
|||
dimensions. If fixed boundary conditions apply, the atom will be lost
|
||||
if it is outside the simulation box.
|
||||
|
||||
The 3 xyz image flags for an atom in the dump file are set to values
|
||||
in the dump file if the {ix}, {iy}, {iz} fields are specified. If not
|
||||
For {native} format dump files, the 3 xyz image flags for an atom in
|
||||
the dump file are set to the corresponding values appearing in the
|
||||
dump file if the {ix}, {iy}, {iz} fields are specified. If not
|
||||
specified, the image flags for replaced atoms are not changed and
|
||||
image flags for new atoms are set to default values. The remapping
|
||||
procedure described in the previous paragraph can change images flags
|
||||
|
|
@ -218,10 +293,15 @@ To read gzipped dump files, you must compile LAMMPS with the
|
|||
-DLAMMPS_GZIP option - see the "Making
|
||||
LAMMPS"_Section_start.html#start_2 section of the documentation.
|
||||
|
||||
The {molfile} dump file formats are part of the USER-MOLFILE package.
|
||||
They are only enabled if LAMMPS was built with that packages. See the
|
||||
"Making LAMMPS"_Section_start.html#start_3 section for more info.
|
||||
|
||||
[Related commands:]
|
||||
|
||||
"dump"_dump.html, "read_data"_read_data.html,
|
||||
"read_restart"_read_restart.html, "rerun"_rerun.html
|
||||
"dump"_dump.html, "dump molfile"_dump_molfile.html,
|
||||
"read_data"_read_data.html, "read_restart"_read_restart.html,
|
||||
"rerun"_rerun.html
|
||||
|
||||
[Default:]
|
||||
|
||||
|
|
|
|||
|
|
@ -40,6 +40,8 @@
|
|||
</P>
|
||||
<PRE>rerun dump.file dump x y z vx vy vz
|
||||
rerun dump1.txt dump2.txt first 10000 every 1000 dump x y z
|
||||
rerun dump.vels dump x y z vx vy vz box yes format molfile lammpstrj
|
||||
rerun dump.dcd dump x y z box no format molfile dcd
|
||||
rerun ../run7/dump.file.gz skip 2 dump x y z box yes
|
||||
</PRE>
|
||||
<P><B>Description:</B>
|
||||
|
|
|
|||
|
|
@ -34,6 +34,8 @@ keyword = {first} or {last} or {every} or {skip} or {start} or {stop} or {dump}
|
|||
|
||||
rerun dump.file dump x y z vx vy vz
|
||||
rerun dump1.txt dump2.txt first 10000 every 1000 dump x y z
|
||||
rerun dump.vels dump x y z vx vy vz box yes format molfile lammpstrj
|
||||
rerun dump.dcd dump x y z box no format molfile dcd
|
||||
rerun ../run7/dump.file.gz skip 2 dump x y z box yes :pre
|
||||
|
||||
[Description:]
|
||||
|
|
|
|||
Loading…
Reference in New Issue