dump ID group-ID image N file keyword value ... :pre
ID = user-assigned name for the dump :ulb,l
group-ID = ID of the group of atoms to be imaged :l
image = style of dump command (other styles {atom} or {cfg} or {dcd} or {xtc} or {xyz} or {local} or {custom} are discussed on the "dump"_dump.html doc page) :l
N = dump every this many timesteps :l
file = name of file to write image to :l
zero or more keyword/value pairs may be appended :l
keyword = {atom} or {bond} or {size} or {view} or {center} or {up} or {zoom} or {persp} or {box} or {dynamic} or {box} or {axes} or {shiny} or {ssao} :l
{atom} values = color diam
color = {none} or {type} or {element} or atom-attribute
diam = D or {type} or {element} or {radius} or {shape} or atom-attribute
D = numeric value for atom diameter (distance units)
{bond} values = color diam
color = {none} or {atom} or {type}
diam = D or {type}
D = numeric value for bond diameter (distance units)
{size} values = width height
width = width of image in # of pixels
height = height of image in # of pixels
{view} values = theta phi
theta = view angle from +z axis (degrees)
phi = azimuthal view angle (degrees)
theta or phi can be a variable (see below)
{center} values = flag Cx Cy Cz = center point of image (distance units)
flag = "s" for static, "d" for dynamic
Cx,Cy,Cz can be variables (see below)
{up} values = Ux Uy Uz = components of up vector
Ux,Uy,Uz can be variables (see below)
{zoom} value = factor = scale image size by this factor
factor can be a variable (see below)
{persp} value = factor = perspective setting
factor can be a variable (see below)
{box} values = yes/no diam
yes/no = do or do not draw simulation box lines
diam = diameter of box lines as fraction of shortest box length
{axes} values = yes/no length diam
yes/no = do or do not draw xyz axes lines next to simulation box
length = length of axes lines as fraction of respective box lengths
diam = diameter of axes lines as fraction of shortest box length
{shiny} value = factor
factor = shinyness of spheres and cylinders from 0.0 to 1.0
{ssao} value = yes/no
yes/no = turn on/off SSAO depth shading :pre
:ule
[Examples:]
dump myDump all image 100 dump.*.jpg :pre
[Description:]
Dump an image (picture) of the atom configuration every N timesteps as
either a JPG or PPM file. A series of such images can easily be
converted into an animated movie of your simulation; see further
details below. Other dump styles store snapshots of atom quantities
in various formats, as discussed on the "dump"_dump.html doc page.
Only atoms in the specified group are rendered in the image. The
"dump_modify region and thresh"_dump_modify.html commands can also
alter what atoms are included in the image.
The filename suffix determines whether a JPG or PPM file is created.
If the suffix is ".jpg" or ".jpeg", then a JPG file is created, else a
PPM file is created. To write out JPG files, you must build LAMMPS
with a JPEG library. See "this section"_Section_start.html#2_2_4 of
the manual for instructions on how to do this.
IMPORTANT NOTE: Because periodic boundary conditions are enforced only
on timesteps when neighbor lists are rebuilt, the coordinates of an
atom image may be slightly outside the simulation box.
:line
Dumps are performed on timesteps that are a multiple of N (including
timestep 0) and on the last timestep of a minimization if the
minimization converges. Note that this means a dump will not be
performed on the initial timestep after the dump command is invoked,
if the current timestep is not a multiple of N. This behavior can be
changed via the "dump_modify first"_dump_modify.html command, which
can be useful if the dump command is invoked after a minimization
ended on an arbitrary timestep. N can be changed between runs by
using the "dump_modify every"_dump_modify.html command (not allowed
for {dcd} style).
Dump image filenames must contain a wildcard character "*". If a "*"
character appears in the filename, then one file per snapshot is
written and the "*" character is replaced with the timestep value.
For example, tmp.dump.*.jpg becomes tmp.dump.0.jpg,
tmp.dump.10000.jpg, tmp.dump.20000.jpg, etc. Note that the
"dump_modify pad"_dump_modify.html command can be used to insure all
timestep numbers are the same length (e.g. 00010), which can make it
easier to convert a series of images into a movie in the correct
ordering.
:line
The kewords listed above control how the image is rendered. As listed
below, all of the keywords have defaults, most of which you will
likely not need to change. The "dump modify"_dump_modify.html also
has options specific to the dump image style, particularly for
assigning colors to atoms, bonds, and other image features.
:line
The {atom} keyword determines the color and size of atoms rendered in
the image. If {none} is specified for the color value (with any diam
value), then no atoms are drawn.
The color value can be {type} or {element} or an atom-attribute.
If {type} is specified for the color
value, then the color of each atom is determined by its atom type.
By default the mapping of types to colors is as follows:
type 1 = red
type 2 = green
type 3 = blue
type 4 = yellow
type 5 = aqua
type 6 = cyan :ul
and repeats itself for types > 6. This mapping can be changed by the
"dump_modify acolor"_dump_modify.html command.
If {element} is specified for the color value, then the color of each
atom is determined by which element it is, which in turn is specified
by the element-to-type mapping specified by the "dump_modify element"
command. By default every atom type is C (carbon). Every element has
a color associated with it, which is the same as used by the
