forked from lijiext/lammps
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This commit is contained in:
sjplimp
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@ -13,7 +13,7 @@
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</H3>
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<P><B>Syntax:</B>
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</P>
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<PRE>dump ID group-ID image N file x y z type type keyword value ...
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<PRE>dump ID group-ID image N file color diameter keyword value ...
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</PRE>
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<UL><LI>ID = user-assigned name for the dump
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@ -25,18 +25,20 @@
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<LI>file = name of file to write image to
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<LI>color = atom attribute that determines color of each atom
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<LI>diameter = atom attribute that determines size of each atom
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<LI>zero or more keyword/value pairs may be appended
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<LI>keyword = <I>atom</I> or <I>bond</I> or <I>size</I> or <I>view</I> or <I>center</I> or <I>up</I> or <I>zoom</I> or <I>persp</I> or <I>box</I> or <I>axes</I> or <I>shiny</I> or <I>ssao</I>
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<LI>keyword = <I>adiam</I> or <I>atom</I> or <I>bond</I> or <I>size</I> or <I>view</I> or <I>center</I> or <I>up</I> or <I>zoom</I> or <I>persp</I> or <I>box</I> or <I>axes</I> or <I>shiny</I> or <I>ssao</I>
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<PRE> <I>atom</I> values = color diam = color and size of atoms
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color = <I>none</I> or <I>type</I> or <I>element</I> or atom-attribute
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diam = number or <I>type</I> or <I>element</I> or atom-attribute
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number = numeric value for atom diameter (distance units)
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<I>bond</I> values = color diam = color and width of bonds
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color = <I>none</I> or <I>atom</I> or <I>type</I>
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diam = number or <I>type</I>
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numer = numeric value for bond diameter (distance units)
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<PRE> <I>adiam</I> value = number = numeric value for atom diameter (distance units)
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<I>atom</I> = yes/no = do or do not draw atoms
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<I>bond</I> values = color width = color and width of bonds
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color = <I>atom</I> or <I>type</I>
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width = number or <I>atom</I> or <I>type</I>
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number = numeric value for bond width (distance units)
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<I>size</I> values = width height = size of images
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width = width of image in # of pixels
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height = height of image in # of pixels
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@ -46,7 +48,7 @@
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theta or phi can be a variable (see below)
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<I>center</I> values = flag Cx Cy Cz = center point of image
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flag = "s" for static, "d" for dynamic
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Cx,Cy,Cz = center point of image as fraction of box dimension (0.5 = center of box)
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Cx,Cy,Cz = center point of image as fraction of box dimension (0.5 = center of box)
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Cx,Cy,Cz can be variables (see below)
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<I>up</I> values = Ux Uy Uz = direction that is "up" in image
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Ux,Uy,Uz = components of up vector
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@ -66,14 +68,15 @@
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diam = diameter of axes lines as fraction of shortest box length
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<I>shiny</I> value = factor = shinyness of spheres and cylinders
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factor = shinyness of spheres and cylinders from 0.0 to 1.0
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<I>ssao</I> value = yes/no = SSAO depth shading
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yes/no = turn depth shading on/off
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<I>ssao</I> value = yes/no seed = SSAO depth shading
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yes/no = turn depth shading on/off
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seed = random # seed (positive integer)
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</PRE>
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</UL>
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<P><B>Examples:</B>
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</P>
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<PRE>dump myDump all image 100 dump.*.jpg
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<PRE>dump myDump all image 100 dump.*.jpg type type
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</PRE>
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<P><B>Description:</B>
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</P>
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@ -122,21 +125,17 @@ correct ordering.
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</P>
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<HR>
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<P>The kewords listed above control how the image is rendered. As listed
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below, all of the keywords have defaults, most of which you will
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likely not need to change. The <A HREF = "dump_modify.html">dump modify</A> also
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has options specific to the dump image style, particularly for
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assigning colors to atoms, bonds, and other image features.
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<P>The <I>color</I> and <I>diameter</I> settings determine the color and size of
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atoms rendered in the image. They can be any atom attribute defined
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for the <A HREF = "dump.html">dump custom</A> command, including <I>type</I> and
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<I>element</I>. This includes per-atom quantities calculated by a
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<A HREF = "compute.html">compute</A>, <A HREF = "fix.html">fix</A>, or <A HREF = "variable.html">variable</A>,
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which are prefixed by "c_", "f_", or "v_" respectively. Note that the
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<I>diameter</I> setting can be overridden with a numeric value by the
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optional <I>adiam</I> keyword, in which case you can specify the <I>diameter</I>
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setting with any valid atom attribute.
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</P>
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<HR>
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<P>The <I>atom</I> keyword determines the color and size of atoms rendered in
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the image. If <I>none</I> is specified for the <I>color</I> value (with any
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<I>diam</I> value), then no atoms are drawn.
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</P>
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<P>The <I>color</I> value can be <I>type</I> or <I>element</I> or an atom-attribute.
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</P>
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<P>If <I>type</I> is specified for the <I>color</I> value, then the color of each
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<P>If <I>type</I> is specified for the <I>color</I> setting, then the color of each
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atom is determined by its atom type. By default the mapping of types
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to colors is as follows:
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</P>
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@ -150,25 +149,28 @@ to colors is as follows:
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<P>and repeats itself for types > 6. This mapping can be changed by the
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<A HREF = "dump_modify.html">dump_modify acolor</A> command.
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</P>
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<P>If <I>element</I> is specified for the <I>color</I> value, then the color of
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each atom is determined by which element it is, which in turn is
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specified by the element-to-type mapping specified by the "dump_modify
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element" command. By default every atom type is C (carbon). Every
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element has a color associated with it, which is the same as the
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colors used by the <A HREF = "http://mt.seas.upenn.edu/Archive/Graphics/A">AtomEye</A> visualization package.
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<P>If <I>type</I> is specified for the <I>diameter</I> setting then the diamter of
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each atom is determined by its atom type. By default all types have
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diameter 1.0. This mapping can be changed by the <A HREF = "dump_modify.html">dump_modify
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adiam</A> command.
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</P>
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<P>If <I>element</I> is specified for the <I>color</I> and/or <I>diameter</I> setting,
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then the color and/or diameter of each atom is determined by which
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element it is, which in turn is specified by the element-to-type
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mapping specified by the "dump_modify element" command. By default
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every atom type is C (carbon). Every element has a color and diameter
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associated with it, which is the same as the colors used by the
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<A HREF = "http://mt.seas.upenn.edu/Archive/Graphics/A">AtomEye</A> visualization package.
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</P>
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<P>An atom-attribute can also be used for the <I>color</I> value. Any
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attribute listed on the <A HREF = "dump.html">dump custom</A> doc page can be used,
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e.g. vx, fy, q, spin, etc. This includes per-atom quantities
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calculated by a <A HREF = "compute.html">compute</A>, <A HREF = "fix.html">fix</A>, or
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<A HREF = "variable.html">variable</A>. For example, if "vx" is used as the
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per-atom attribute, then the color of the atom will depend on the
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x-component of its velocity.
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<P>If other atom attributes are used for the <I>color</I> or <I>diameter</I>
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settings, they are interpreted in the following way.
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</P>
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<P>The association of a per-atom value with a specific color is
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determined by a "color map", which can be specified via the
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<P>If "vx", for example, is used as the <I>color</I> setting, then the color
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of the atom will depend on the x-component of its velocity. The
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association of a per-atom value with a specific color is determined by
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a "color map", which can be specified via the
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<A HREF = "dump_modify.html">dump_modify</A> command. The basic idea is that the
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atom-attribute will be within a range of values, and every value
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within the range is mapped to a specific color. Depending on how the
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@ -176,45 +178,41 @@ color map is defined, that mapping can take place via interpolation so
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that a value of -3.2 is halfway between "red" and "blue", or
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discretely so that the value of -3.2 is "orange".
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</P>
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<P>The <I>diam</I> value can be a numeric value or <I>type</I> or <I>element</I> or an
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atom-attribute.
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</P>
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<P>If a numeric value is specified, then all atoms will be drawn with
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that diameter, e.g. 1.5, which is in distance units in whatever
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<A HREF = "units.html">units</A> the input scripts uses, e.g. Angstroms.
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</P>
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<P>If <I>type</I> is specified for the diam value then the diamter of each
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atom is determined by its atom type. By default all types have
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diameter 1.0. This mapping can be changed by the <A HREF = "dump_modify.html">dump_modify
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adiam</A> command.
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</P>
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<P>If <I>element</I> is specified for the <I>diam</I> value, then the diamater of
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each atom is determined by which element it is, which in turn is
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specified by the element-to-type mapping specified by the "dump_modify
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element" command. By default every atom type is C (carbon). Every
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element has a diameter associated with it, which is the same as the
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diameters used by the <A HREF = "http://mt.seas.upenn.edu/Archive/Graphics/A">AtomEye</A> visualization package.
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</P>
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<P>An atom-attribute can also be used for the <I>diam</I> value. Any
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attribute listed on the <A HREF = "dump.html">dump custom</A> doc page can be used,
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e.g. vx, fy, q, spin, radius, etc. This includes per-atom quantities
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calculated by a <A HREF = "compute.html">compute</A>, <A HREF = "fix.html">fix</A>, or
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<A HREF = "variable.html">variable</A>. For example, if "vx" is used as the
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per-atom attribute, then the diameter of the atom will depend on the
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x-component of its velocity, which must be >= 0.0, else the atom will
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not be drawn. Note that finite-size spherical particles, as defined
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by <A HREF = "atom_style.html">atom_style sphere</A> define a per-particle radius,
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which can be used as an atom-attribute.
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<P>If "vx", for example, is used as the <I>diameter</I> setting, then the atom
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will be rendered using the x-component of its velocity as the
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diameter. If the per-atom value <= 0.0, them the atom will not be
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drawn. Note that finite-size spherical particles, as defined by
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<A HREF = "atom_style.html">atom_style sphere</A> define a per-particle radius or
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diameter, which can be used as the <I>diameter</I> setting.
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</P>
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<HR>
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<P>The <I>bond</I> keyword determines the color and thickness or diameter of
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bonds rendered in the image. If <I>none</I> is specified for the <I>color</I>
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value (with any diam value), then no bonds are drawn.
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<P>The various kewords listed above control how the image is rendered.
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As listed below, all of the keywords have defaults, most of which you
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will likely not need to change. The <A HREF = "dump_modify.html">dump modify</A>
|
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also has options specific to the dump image style, particularly for
|
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assigning colors to atoms, bonds, and other image features.
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</P>
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<P>If <I>atom</I> is specified for the <I>color</I> value, then each bond is drawn
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in 2 halves, with the color of each half being the color of the atom
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at that end of the bond.
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<HR>
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<P>The <I>adiam</I> keyword allows you to override the <I>diameter</I> setting to a
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per-atom attribute with a specified numeric value. All atoms will be
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drawn with that diameter, e.g. 1.5, which is in whatever distance
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<A HREF = "units.html">units</A> the input script defines, e.g. Angstroms.
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</P>
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<P>The <I>atom</I> keyword allow you to turn off the drawing of all atoms,
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if the specified value is <I>no</I>.
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</P>
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<P>By default, no bonds between atoms are drawn in the renedered image.
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The <I>bond</I> keyword cause bonds between pairs of atoms (as defined in
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the data file read by the <A HREF = "read_data.html">read_data</A> command) to be
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drawn with the specified color and width. A bond is only drawn if
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both atoms in the bond are part of the group specified with the dump
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image command.
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</P>
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<P>If <I>atom</I> is specified for the bond <I>color</I> value, then each bond is
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drawn in 2 halves, with the color of each half being the color of the
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atom at that end of the bond.
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</P>
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<P>If <I>type</I> is specified for the <I>color</I> value, then the color of each
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bond is determined by its bond type. By default the mapping of bond
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@ -230,13 +228,17 @@ types to colors is as follows:
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<P>and repeats itself for bond types > 6. This mapping can be changed by
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the <A HREF = "dump_modify.html">dump_modify bcolor</A> command.
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</P>
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<P>The <I>diam</I> value can be a numeric value or <I>type</I>.
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<P>The bond <I>width</I> value can be a numeric value or <I>atom</I> or <I>type</I>.
|
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</P>
|
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<P>If a numeric value is specified, then all bond will be drawn with that
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diameter, e.g. 1.0, which is in distance units in whatever
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<A HREF = "units.html">units</A> the input script uses, e.g. Angstroms.
|
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<P>If a numeric value is specified, then all bonds will be drawn as
|
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cylinders with that diameter, e.g. 1.0, which is in whatever distance
|
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<A HREF = "units.html">units</A> the input script defines, e.g. Angstroms.
|
||||
</P>
|
||||
<P>If <I>type</I> is specified for the <I>diam</I> value then the color of each
|
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<P>If <I>atom</I> is specified for the <I>width</I> value, then each bond
|
||||
will be drawn with a width corresponding to the minimum diameter
|
||||
of the 2 atoms in the bond.
|
||||
</P>
|
||||
<P>If <I>type</I> is specified for the <I>width</I> value then the diameter of each
|
||||
bond is determined by its bond type. By default all types have
|
||||
diameter 0.5. This mapping can be changed by the <A HREF = "dump_modify.html">dump_modify
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bdiam</A> command.
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@ -340,9 +342,10 @@ a rough non-shiny surface.
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</P>
|
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<P>The <I>ssao</I> keyword turns on/off a screen space ambient occlusion
|
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(SSAO) model for depth shading. If <I>yes</I> is set, then atoms further
|
||||
away from the viewer are darkened, which is perceived as depth. The
|
||||
calculation of this effect can increase the cost of computing the
|
||||
image by roughly 2x. If <I>no</I> is set, no depth shading is performed.
|
||||
away from the viewer are darkened via a randomized process, which is
|
||||
perceived as depth. The calculation of this effect can increase the
|
||||
cost of computing the image by roughly 2x. If <I>no</I> is set, no depth
|
||||
shading is performed.
|
||||
</P>
|
||||
<HR>
|
||||
|
||||
|
|
|
|||
|
|
@ -10,23 +10,23 @@ dump image command :h3
|
|||
|
||||
[Syntax:]
|
||||
|
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dump ID group-ID image N file x y z type type keyword value ... :pre
|
||||
dump ID group-ID image N file color diameter keyword value ... :pre
|
||||
|
||||
ID = user-assigned name for the dump :ulb,l
|
||||
group-ID = ID of the group of atoms to be imaged :l
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||||
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
|
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N = dump every this many timesteps :l
|
||||
file = name of file to write image to :l
|
||||
color = atom attribute that determines color of each atom :l
|
||||
diameter = atom attribute that determines size of each atom :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 {axes} or {shiny} or {ssao} :l
|
||||
{atom} values = color diam = color and size of atoms
|
||||
color = {none} or {type} or {element} or atom-attribute
|
||||
diam = number or {type} or {element} or atom-attribute
|
||||
number = numeric value for atom diameter (distance units)
|
||||
{bond} values = color diam = color and width of bonds
|
||||
color = {none} or {atom} or {type}
|
||||
diam = number or {type}
|
||||
numer = numeric value for bond diameter (distance units)
|
||||
keyword = {adiam} or {atom} or {bond} or {size} or {view} or {center} or {up} or {zoom} or {persp} or {box} or {axes} or {shiny} or {ssao} :l
|
||||
{adiam} value = number = numeric value for atom diameter (distance units)
|
||||
{atom} = yes/no = do or do not draw atoms
|
||||
{bond} values = color width = color and width of bonds
|
||||
color = {atom} or {type}
|
||||
width = number or {atom} or {type}
|
||||
number = numeric value for bond width (distance units)
|
||||
{size} values = width height = size of images
|
||||
width = width of image in # of pixels
|
||||
height = height of image in # of pixels
|
||||
|
|
@ -36,7 +36,7 @@ keyword = {atom} or {bond} or {size} or {view} or {center} or {up} or {zoom} or
|
|||
theta or phi can be a variable (see below)
|
||||
{center} values = flag Cx Cy Cz = center point of image
|
||||
flag = "s" for static, "d" for dynamic
|
||||
Cx,Cy,Cz = center point of image as fraction of box dimension (0.5 = center of box)
|
||||
Cx,Cy,Cz = center point of image as fraction of box dimension (0.5 = center of box)
|
||||
Cx,Cy,Cz can be variables (see below)
|
||||
{up} values = Ux Uy Uz = direction that is "up" in image
|
||||
Ux,Uy,Uz = components of up vector
|
||||
|
|
@ -56,13 +56,14 @@ keyword = {atom} or {bond} or {size} or {view} or {center} or {up} or {zoom} or
|
|||
diam = diameter of axes lines as fraction of shortest box length
|
||||
{shiny} value = factor = shinyness of spheres and cylinders
|
||||
factor = shinyness of spheres and cylinders from 0.0 to 1.0
|
||||
{ssao} value = yes/no = SSAO depth shading
|
||||
yes/no = turn depth shading on/off :pre
|
||||
{ssao} value = yes/no seed = SSAO depth shading
|
||||
yes/no = turn depth shading on/off
|
||||
seed = random # seed (positive integer) :pre
|
||||
:ule
|
||||
|
||||
[Examples:]
|
||||
|
||||
dump myDump all image 100 dump.*.jpg :pre
|
||||
dump myDump all image 100 dump.*.jpg type type :pre
|
||||
|
||||
[Description:]
|
||||
|
||||
|
|
@ -111,21 +112,17 @@ 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.
|
||||
The {color} and {diameter} settings determine the color and size of
|
||||
atoms rendered in the image. They can be any atom attribute defined
|
||||
for the "dump custom"_dump.html command, including {type} and
|
||||
{element}. This includes per-atom quantities calculated by a
|
||||
"compute"_compute.html, "fix"_fix.html, or "variable"_variable.html,
|
||||
which are prefixed by "c_", "f_", or "v_" respectively. Note that the
|
||||
{diameter} setting can be overridden with a numeric value by the
|
||||
optional {adiam} keyword, in which case you can specify the {diameter}
|
||||
setting with any valid atom attribute.
|
||||
|
||||
: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
|
||||
If {type} is specified for the {color} setting, then the color of each
|
||||
atom is determined by its atom type. By default the mapping of types
|
||||
to colors is as follows:
|
||||
|
||||
|
|
@ -139,25 +136,28 @@ 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 the
|
||||
colors used by the "AtomEye"_atomeye visualization package.
|
||||
If {type} is specified for the {diameter} setting then the diamter of
|
||||
each atom is determined by its atom type. By default all types have
|
||||
diameter 1.0. This mapping can be changed by the "dump_modify
|
||||
adiam"_dump_modify.html command.
|
||||
|
||||
If {element} is specified for the {color} and/or {diameter} setting,
|
||||
then the color and/or diameter 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 and diameter
|
||||
associated with it, which is the same as the colors used by the
|
||||
"AtomEye"_atomeye visualization package.
|
||||
|
||||
:link(atomeye,http://mt.seas.upenn.edu/Archive/Graphics/A)
|
||||
|
||||
An atom-attribute can also be used for the {color} value. Any
|
||||
attribute listed on the "dump custom"_dump.html doc page can be used,
|
||||
e.g. vx, fy, q, spin, etc. This includes per-atom quantities
|
||||
calculated by a "compute"_compute.html, "fix"_fix.html, or
|
||||
"variable"_variable.html. For example, if "vx" is used as the
|
||||
per-atom attribute, then the color of the atom will depend on the
|
||||
x-component of its velocity.
|
||||
If other atom attributes are used for the {color} or {diameter}
|
||||
settings, they are interpreted in the following way.
|
||||
|
||||
The association of a per-atom value with a specific color is
|
||||
determined by a "color map", which can be specified via the
|
||||
If "vx", for example, is used as the {color} setting, then the color
|
||||
of the atom will depend on the x-component of its velocity. The
|
||||
association of a per-atom value with a specific color is determined by
|
||||
a "color map", which can be specified via the
|
||||
"dump_modify"_dump_modify.html command. The basic idea is that the
|
||||
atom-attribute will be within a range of values, and every value
|
||||
within the range is mapped to a specific color. Depending on how the
|
||||
|
|
@ -165,45 +165,41 @@ color map is defined, that mapping can take place via interpolation so
|
|||
that a value of -3.2 is halfway between "red" and "blue", or
|
||||
discretely so that the value of -3.2 is "orange".
|
||||
|
||||
The {diam} value can be a numeric value or {type} or {element} or an
|
||||
atom-attribute.
|
||||
|
||||
If a numeric value is specified, then all atoms will be drawn with
|
||||
that diameter, e.g. 1.5, which is in distance units in whatever
|
||||
"units"_units.html the input scripts uses, e.g. Angstroms.
|
||||
|
||||
If {type} is specified for the diam value then the diamter of each
|
||||
atom is determined by its atom type. By default all types have
|
||||
diameter 1.0. This mapping can be changed by the "dump_modify
|
||||
adiam"_dump_modify.html command.
|
||||
|
||||
If {element} is specified for the {diam} value, then the diamater 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 diameter associated with it, which is the same as the
|
||||
diameters used by the "AtomEye"_atomeye visualization package.
|
||||
|
||||
An atom-attribute can also be used for the {diam} value. Any
|
||||
attribute listed on the "dump custom"_dump.html doc page can be used,
|
||||
e.g. vx, fy, q, spin, radius, etc. This includes per-atom quantities
|
||||
calculated by a "compute"_compute.html, "fix"_fix.html, or
|
||||
"variable"_variable.html. For example, if "vx" is used as the
|
||||
per-atom attribute, then the diameter of the atom will depend on the
|
||||
x-component of its velocity, which must be >= 0.0, else the atom will
|
||||
not be drawn. Note that finite-size spherical particles, as defined
|
||||
by "atom_style sphere"_atom_style.html define a per-particle radius,
|
||||
which can be used as an atom-attribute.
|
||||
If "vx", for example, is used as the {diameter} setting, then the atom
|
||||
will be rendered using the x-component of its velocity as the
|
||||
diameter. If the per-atom value <= 0.0, them the atom will not be
|
||||
drawn. Note that finite-size spherical particles, as defined by
|
||||
"atom_style sphere"_atom_style.html define a per-particle radius or
|
||||
diameter, which can be used as the {diameter} setting.
|
||||
|
||||
:line
|
||||
|
||||
The {bond} keyword determines the color and thickness or diameter of
|
||||
bonds rendered in the image. If {none} is specified for the {color}
|
||||
value (with any diam value), then no bonds are drawn.
|
||||
The various 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.
|
||||
|
||||
If {atom} is specified for the {color} value, then each bond is drawn
|
||||
in 2 halves, with the color of each half being the color of the atom
|
||||
at that end of the bond.
|
||||
:line
|
||||
|
||||
The {adiam} keyword allows you to override the {diameter} setting to a
|
||||
per-atom attribute with a specified numeric value. All atoms will be
|
||||
drawn with that diameter, e.g. 1.5, which is in whatever distance
|
||||
"units"_units.html the input script defines, e.g. Angstroms.
|
||||
|
||||
The {atom} keyword allow you to turn off the drawing of all atoms,
|
||||
if the specified value is {no}.
|
||||
|
||||
By default, no bonds between atoms are drawn in the renedered image.
|
||||
The {bond} keyword cause bonds between pairs of atoms (as defined in
|
||||
the data file read by the "read_data"_read_data.html command) to be
|
||||
drawn with the specified color and width. A bond is only drawn if
|
||||
both atoms in the bond are part of the group specified with the dump
|
||||
image command.
|
||||
|
||||
If {atom} is specified for the bond {color} value, then each bond is
|
||||
drawn in 2 halves, with the color of each half being the color of the
|
||||
atom at that end of the bond.
|
||||
|
||||
If {type} is specified for the {color} value, then the color of each
|
||||
bond is determined by its bond type. By default the mapping of bond
|
||||
|
|
@ -219,13 +215,17 @@ type 6 = cyan :ul
|
|||
and repeats itself for bond types > 6. This mapping can be changed by
|
||||
the "dump_modify bcolor"_dump_modify.html command.
|
||||
|
||||
The {diam} value can be a numeric value or {type}.
|
||||
The bond {width} value can be a numeric value or {atom} or {type}.
|
||||
|
||||
If a numeric value is specified, then all bond will be drawn with that
|
||||
diameter, e.g. 1.0, which is in distance units in whatever
|
||||
"units"_units.html the input script uses, e.g. Angstroms.
|
||||
If a numeric value is specified, then all bonds will be drawn as
|
||||
cylinders with that diameter, e.g. 1.0, which is in whatever distance
|
||||
"units"_units.html the input script defines, e.g. Angstroms.
|
||||
|
||||
If {type} is specified for the {diam} value then the color of each
|
||||
If {atom} is specified for the {width} value, then each bond
|
||||
will be drawn with a width corresponding to the minimum diameter
|
||||
of the 2 atoms in the bond.
|
||||
|
||||
If {type} is specified for the {width} value then the diameter of each
|
||||
bond is determined by its bond type. By default all types have
|
||||
diameter 0.5. This mapping can be changed by the "dump_modify
|
||||
bdiam"_dump_modify.html command.
|
||||
|
|
@ -329,9 +329,10 @@ a rough non-shiny surface.
|
|||
|
||||
The {ssao} keyword turns on/off a screen space ambient occlusion
|
||||
(SSAO) model for depth shading. If {yes} is set, then atoms further
|
||||
away from the viewer are darkened, which is perceived as depth. The
|
||||
calculation of this effect can increase the cost of computing the
|
||||
image by roughly 2x. If {no} is set, no depth shading is performed.
|
||||
away from the viewer are darkened via a randomized process, which is
|
||||
perceived as depth. The calculation of this effect can increase the
|
||||
cost of computing the image by roughly 2x. If {no} is set, no depth
|
||||
shading is performed.
|
||||
|
||||
:line
|
||||
|
||||
|
|
|
|||
|
|
@ -19,7 +19,7 @@
|
|||
|
||||
<LI>one or more keyword/value pairs may be appended
|
||||
|
||||
<LI>keyword = <I>acolor</I> or <I>adiam</I> or <I>amap</I> or <I>append</I> or <I>bcolor</I> or <I>bdiam</I> or <I>bgcolor</I> or <I>boxcolor</I> or <I>color</I> or <I>every</I> or <I>flush</I> or <I>format</I> or <I>image</I> or <I>label</I> or <I>precision</I> or <I>region</I> or <I>scale</I> or <I>sort</I> or <I>thresh</I> or <I>unwrap</I>
|
||||
<LI>keyword = <I>acolor</I> or <I>adiam</I> or <I>amap</I> or <I>append</I> or <I>bcolor</I> or <I>bdiam</I> or <I>backcolor</I> or <I>boxcolor</I> or <I>color</I> or <I>every</I> or <I>flush</I> or <I>format</I> or <I>image</I> or <I>label</I> or <I>precision</I> or <I>region</I> or <I>scale</I> or <I>sort</I> or <I>thresh</I> or <I>unwrap</I>
|
||||
|
||||
<PRE> <I>acolor</I> args = type color
|
||||
type = atom type or range of types (see below)
|
||||
|
|
@ -30,7 +30,7 @@
|
|||
<I>amap</I> args = lo hi style N delta entry1 entry2 ... entryN
|
||||
lo = number or <I>min</I> = lower bound of range of color map
|
||||
hi = number or <I>max</I> = upper bound of range of color map
|
||||
style = 2 letters = "b" or "c" or "s" plus "a" or "f"
|
||||
style = 2 letters = "c" or "d" or "s" plus "a" or "f"
|
||||
"c" for continuous
|
||||
"d" for discrete
|
||||
"s" for sequential
|
||||
|
|
@ -54,7 +54,7 @@
|
|||
<I>bdiam</I> args = type diam
|
||||
type = bond type or range of types (see below)
|
||||
diam = diameter of bonds of that type (distance units)
|
||||
<I>bgcolor</I> arg = color
|
||||
<I>backcolor</I> arg = color
|
||||
color = name of color for background
|
||||
<I>boxcolor</I> arg = color
|
||||
color = name of color for box lines
|
||||
|
|
@ -109,9 +109,9 @@ parameters are relevant to all dump styles.
|
|||
<HR>
|
||||
|
||||
<P>The <I>acolor</I> keyword applies only to the dump <I>image</I> style. It can
|
||||
be used with the <A HREF = "dump_image.html">dump image</A> command, with its <I>atom</I>
|
||||
keyword, when its color setting is <I>type</I>, to set the color that atoms
|
||||
of each type will be drawn in the image.
|
||||
be used with the <A HREF = "dump_image.html">dump image</A> command, when its atom
|
||||
color setting is <I>type</I>, to set the color that atoms of each type will
|
||||
be drawn in the image.
|
||||
</P>
|
||||
<P>The specified <I>type</I> should be an integer from 1 to Ntypes = the
|
||||
number of atom types. A wildcard asterisk can be used in place of or
|
||||
|
|
@ -124,23 +124,23 @@ all types from 1 to N. A leading asterisk means all types from 1 to n
|
|||
(inclusive).
|
||||
</P>
|
||||
<P>The specified <I>color</I> can be a single color which is any of the 140
|
||||
pre-defined colors (see below) or a colorname defined by the
|
||||
pre-defined colors (see below) or a color name defined by the
|
||||
dump_modify color option. Or it can be two or more colors separated
|
||||
by a "/" character, e.g. red/green/blue. In the former case, that
|
||||
color is assigned to all the specified atom types. In the latter
|
||||
case, the list of colors are assigned in a round-robin fashion
|
||||
to each of the specified atom types.
|
||||
case, the list of colors are assigned in a round-robin fashion to each
|
||||
of the specified atom types.
|
||||
</P>
|
||||
<HR>
|
||||
|
||||
<P>The <I>adiam</I> keyword applies only to the dump <I>image</I> style. It can be
|
||||
used with the <A HREF = "dump_image.html">dump image</A> command, with its <I>atom</I>
|
||||
keyword, when its diam setting is <I>type</I>, to set the size that atoms
|
||||
of each type will be drawn in the image. The specified <I>type</I> should
|
||||
be an integer from 1 to Ntypes. As with the <I>acolor</I> keyword, a
|
||||
wildcard asterisk can be used as part of the <I>type</I> argument to
|
||||
specify a range of atomt types. The specified <I>diam</I> is the size in
|
||||
whatever distance <A HREF = "units.html">units</A> you are using, e.g. Angstroms.
|
||||
used with the <A HREF = "dump_image.html">dump image</A> command, when its atom
|
||||
diameter setting is <I>type</I>, to set the size that atoms of each type
|
||||
will be drawn in the image. The specified <I>type</I> should be an integer
|
||||
from 1 to Ntypes. As with the <I>acolor</I> keyword, a wildcard asterisk
|
||||
can be used as part of the <I>type</I> argument to specify a range of atomt
|
||||
types. The specified <I>diam</I> is the size in whatever distance
|
||||
<A HREF = "units.html">units</A> the input script is using, e.g. Angstroms.
|
||||
</P>
|
||||
<HR>
|
||||
|
||||
|
|
@ -157,8 +157,7 @@ within a range of values, and that range is associated with a a series
|
|||
of colors (e.g. red, blue, green). An atom's specific value (vx =
|
||||
-3.2) can then mapped to the series of colors (e.g. halfway between
|
||||
red and blue), and a specific color is determined via an interpolation
|
||||
procedure. There are other options for the mapping mechanism, all of
|
||||
which are explained on the <A HREF = "dump_modify.html">dump_modify</A> doc page.
|
||||
procedure.
|
||||
</P>
|
||||
<P>There are many possible options for the color map, enabled by the
|
||||
<I>amap</I> keyword. Here are the details.
|
||||
|
|
@ -167,8 +166,9 @@ which are explained on the <A HREF = "dump_modify.html">dump_modify</A> doc page
|
|||
the atom attribute. If numeric values are used for <I>lo</I> and/or <I>hi</I>,
|
||||
then values that are lower/higher than that value are set to the
|
||||
value. I.e. the range is static. If <I>lo</I> is specified as <I>min</I> or
|
||||
<I>hi</I> as <I>max</I> then the range is dynamic, and will the lower and/or
|
||||
upper bound will be calculated each time an image is drawn.
|
||||
<I>hi</I> as <I>max</I> then the range is dynamic, and the lower and/or
|
||||
upper bound will be calculated each time an image is drawn, based
|
||||
on the set of atoms being visualized.
|
||||
</P>
|
||||
<P>The <I>style</I> setting is two letters, such as "ca". The first letter is
|
||||
either "c" for continuous, "d" for discrete, or "s" for sequential.
|
||||
|
|
@ -200,13 +200,13 @@ from -9.0 <= color2 < -8.0, etc.
|
|||
<P>The <I>N</I> setting is how many entries follow. The format of the entries
|
||||
depends on whether the color map style is continuous, discrete or
|
||||
sequential. In all cases the <I>color</I> setting can be any of the 140
|
||||
pre-defined colors (see below) or a colorname defined by the
|
||||
pre-defined colors (see below) or a color name defined by the
|
||||
dump_modify color option.
|
||||
</P>
|
||||
<P>For continuous color maps, each entry has a <I>value</I> and a <I>color</I>.
|
||||
The <I>value</I> is either a number within the range of values or <I>min</I> or
|
||||
<I>max</I>. The <I>value</I> of the first entry must be <I>min</I> and the <I>value</I>
|
||||
of hte last entry must be <I>max</I>. Any entries in between must have
|
||||
of the last entry must be <I>max</I>. Any entries in between must have
|
||||
increasing values. Note that numeric values can be specified either
|
||||
as absolute numbers or as fractions (0.0 to 1.0) of the range,
|
||||
depending on the "a" or "f" in the style setting for the color map.
|
||||
|
|
@ -224,11 +224,11 @@ to be "purple".
|
|||
<I>color</I>. The <I>lo</I> and <I>hi</I> settings are either numbers within the
|
||||
range of values or <I>lo</I> can be <I>min</I> or <I>hi</I> can be <I>max</I>. The <I>lo</I>
|
||||
and <I>hi</I> settings of the last entry must be <I>min</I> and <I>max</I>. Other
|
||||
entries can have any <I>lo</I> and <I>hi</I> values, including sub-ranges of
|
||||
values that overlap. Note that numeric <I>lo</I> and <I>hi</I> values can be
|
||||
specified either as absolute numbers or as fractions (0.0 to 1.0) of
|
||||
the range, depending on the "a" or "f" in the style setting for the
|
||||
color map.
|
||||
entries can have any <I>lo</I> and <I>hi</I> values and the sub-ranges of
|
||||
different values can overlap. Note that numeric <I>lo</I> and <I>hi</I> values
|
||||
can be specified either as absolute numbers or as fractions (0.0 to
|
||||
1.0) of the range, depending on the "a" or "f" in the style setting
|
||||
for the color map.
|
||||
</P>
|
||||
<P>Here is how the entries are used to determine the color of an
|
||||
individual atom, given the value X of its atom attribute. The entries
|
||||
|
|
@ -284,7 +284,7 @@ all types from 1 to N. A leading asterisk means all types from 1 to n
|
|||
(inclusive).
|
||||
</P>
|
||||
<P>The specified <I>color</I> can be a single color which is any of the 140
|
||||
pre-defined colors (see below) or a colorname defined by the
|
||||
pre-defined colors (see below) or a color name defined by the
|
||||
dump_modify color option. Or it can be two or more colors separated
|
||||
by a "/" character, e.g. red/green/blue. In the former case, that
|
||||
color is assigned to all the specified bond types. In the latter
|
||||
|
|
@ -305,9 +305,9 @@ e.g. Angstroms.
|
|||
</P>
|
||||
<HR>
|
||||
|
||||
<P>The <I>bgcolor</I> keyword applies only to the dump <I>image</I> style. It sets
|
||||
the background color of each image. The color name can be any of the
|
||||
140 pre-defined colors (see below) or a colorname defined by the
|
||||
<P>The <I>backcolor</I> keyword applies only to the dump <I>image</I> style. It
|
||||
sets the background color of the images. The color name can be any of
|
||||
the 140 pre-defined colors (see below) or a color name defined by the
|
||||
dump_modify color option.
|
||||
</P>
|
||||
<HR>
|
||||
|
|
@ -316,7 +316,22 @@ dump_modify color option.
|
|||
sets the color of the simulation box drawn around the atoms in each
|
||||
image. See the "dump image box" command for how to specify that a box
|
||||
be drawn. The color name can be any of the 140 pre-defined colors
|
||||
(see below) or a colorname defined by the dump_modify color option.
|
||||
(see below) or a color name defined by the dump_modify color option.
|
||||
</P>
|
||||
<HR>
|
||||
|
||||
<P>The <I>color</I> keyword applies only to the dump <I>image</I> style. It allows
|
||||
definition of a new color name, in addition to the 140-predefined
|
||||
colors (see below), and associates 3 red/green/blue RGB values with
|
||||
that color name. The color name can then be used with any other
|
||||
dump_modify keyword that takes a color name as a value. The RGB
|
||||
values should each be floating point values between 0.0 and 1.0
|
||||
inclusive.
|
||||
</P>
|
||||
<P>When a color name is converted to RGB values, the user-defined color
|
||||
names are searched first, then the 140 pre-defined color names. This
|
||||
means you can also use the <I>color</I> keyword to overwrite one of the
|
||||
pre-defined color names with new RBG values.
|
||||
</P>
|
||||
<HR>
|
||||
|
||||
|
|
@ -511,7 +526,7 @@ box size stored with the snapshot.
|
|||
<LI>append = no
|
||||
<LI>bcolor = * red/green/blue/yellow/aqua/cyan
|
||||
<LI>bdiam = * 0.5
|
||||
<LI>bgcolor = black
|
||||
<LI>backcolor = black
|
||||
<LI>boxcolor = yellow
|
||||
<LI>color = 140 color names are pre-defined as listed below
|
||||
<LI>element = "C" for every atom type
|
||||
|
|
|
|||
|
|
@ -14,7 +14,7 @@ dump_modify dump-ID keyword values ... :pre
|
|||
|
||||
dump-ID = ID of dump to modify :ulb,l
|
||||
one or more keyword/value pairs may be appended :l
|
||||
keyword = {acolor} or {adiam} or {amap} or {append} or {bcolor} or {bdiam} or {bgcolor} or {boxcolor} or {color} or {every} or {flush} or {format} or {image} or {label} or {precision} or {region} or {scale} or {sort} or {thresh} or {unwrap} :l
|
||||
keyword = {acolor} or {adiam} or {amap} or {append} or {bcolor} or {bdiam} or {backcolor} or {boxcolor} or {color} or {every} or {flush} or {format} or {image} or {label} or {precision} or {region} or {scale} or {sort} or {thresh} or {unwrap} :l
|
||||
{acolor} args = type color
|
||||
type = atom type or range of types (see below)
|
||||
color = name of color or color1/color2/...
|
||||
|
|
@ -24,7 +24,7 @@ keyword = {acolor} or {adiam} or {amap} or {append} or {bcolor} or {bdiam} or {b
|
|||
{amap} args = lo hi style N delta entry1 entry2 ... entryN
|
||||
lo = number or {min} = lower bound of range of color map
|
||||
hi = number or {max} = upper bound of range of color map
|
||||
style = 2 letters = "b" or "c" or "s" plus "a" or "f"
|
||||
style = 2 letters = "c" or "d" or "s" plus "a" or "f"
|
||||
"c" for continuous
|
||||
"d" for discrete
|
||||
"s" for sequential
|
||||
|
|
@ -48,7 +48,7 @@ keyword = {acolor} or {adiam} or {amap} or {append} or {bcolor} or {bdiam} or {b
|
|||
{bdiam} args = type diam
|
||||
type = bond type or range of types (see below)
|
||||
diam = diameter of bonds of that type (distance units)
|
||||
{bgcolor} arg = color
|
||||
{backcolor} arg = color
|
||||
color = name of color for background
|
||||
{boxcolor} arg = color
|
||||
color = name of color for box lines
|
||||
|
|
@ -102,9 +102,9 @@ parameters are relevant to all dump styles.
|
|||
:line
|
||||
|
||||
The {acolor} keyword applies only to the dump {image} style. It can
|
||||
be used with the "dump image"_dump_image.html command, with its {atom}
|
||||
keyword, when its color setting is {type}, to set the color that atoms
|
||||
of each type will be drawn in the image.
|
||||
be used with the "dump image"_dump_image.html command, when its atom
|
||||
color setting is {type}, to set the color that atoms of each type will
|
||||
be drawn in the image.
|
||||
|
||||
The specified {type} should be an integer from 1 to Ntypes = the
|
||||
number of atom types. A wildcard asterisk can be used in place of or
|
||||
|
|
@ -117,23 +117,23 @@ all types from 1 to N. A leading asterisk means all types from 1 to n
|
|||
(inclusive).
|
||||
|
||||
The specified {color} can be a single color which is any of the 140
|
||||
pre-defined colors (see below) or a colorname defined by the
|
||||
pre-defined colors (see below) or a color name defined by the
|
||||
dump_modify color option. Or it can be two or more colors separated
|
||||
by a "/" character, e.g. red/green/blue. In the former case, that
|
||||
color is assigned to all the specified atom types. In the latter
|
||||
case, the list of colors are assigned in a round-robin fashion
|
||||
to each of the specified atom types.
|
||||
case, the list of colors are assigned in a round-robin fashion to each
|
||||
of the specified atom types.
|
||||
|
||||
:line
|
||||
|
||||
The {adiam} keyword applies only to the dump {image} style. It can be
|
||||
used with the "dump image"_dump_image.html command, with its {atom}
|
||||
keyword, when its diam setting is {type}, to set the size that atoms
|
||||
of each type will be drawn in the image. The specified {type} should
|
||||
be an integer from 1 to Ntypes. As with the {acolor} keyword, a
|
||||
wildcard asterisk can be used as part of the {type} argument to
|
||||
specify a range of atomt types. The specified {diam} is the size in
|
||||
whatever distance "units"_units.html you are using, e.g. Angstroms.
|
||||
used with the "dump image"_dump_image.html command, when its atom
|
||||
diameter setting is {type}, to set the size that atoms of each type
|
||||
will be drawn in the image. The specified {type} should be an integer
|
||||
from 1 to Ntypes. As with the {acolor} keyword, a wildcard asterisk
|
||||
can be used as part of the {type} argument to specify a range of atomt
|
||||
types. The specified {diam} is the size in whatever distance
|
||||
"units"_units.html the input script is using, e.g. Angstroms.
|
||||
|
||||
:line
|
||||
|
||||
|
|
@ -150,8 +150,7 @@ within a range of values, and that range is associated with a a series
|
|||
of colors (e.g. red, blue, green). An atom's specific value (vx =
|
||||
-3.2) can then mapped to the series of colors (e.g. halfway between
|
||||
red and blue), and a specific color is determined via an interpolation
|
||||
procedure. There are other options for the mapping mechanism, all of
|
||||
which are explained on the "dump_modify"_dump_modify.html doc page.
|
||||
procedure.
|
||||
|
||||
There are many possible options for the color map, enabled by the
|
||||
{amap} keyword. Here are the details.
|
||||
|
|
@ -160,8 +159,9 @@ The {lo} and {hi} settings determine the range of values allowed for
|
|||
the atom attribute. If numeric values are used for {lo} and/or {hi},
|
||||
then values that are lower/higher than that value are set to the
|
||||
value. I.e. the range is static. If {lo} is specified as {min} or
|
||||
{hi} as {max} then the range is dynamic, and will the lower and/or
|
||||
upper bound will be calculated each time an image is drawn.
|
||||
{hi} as {max} then the range is dynamic, and the lower and/or
|
||||
upper bound will be calculated each time an image is drawn, based
|
||||
on the set of atoms being visualized.
|
||||
|
||||
The {style} setting is two letters, such as "ca". The first letter is
|
||||
either "c" for continuous, "d" for discrete, or "s" for sequential.
|
||||
|
|
@ -193,13 +193,13 @@ from -9.0 <= color2 < -8.0, etc.
|
|||
The {N} setting is how many entries follow. The format of the entries
|
||||
depends on whether the color map style is continuous, discrete or
|
||||
sequential. In all cases the {color} setting can be any of the 140
|
||||
pre-defined colors (see below) or a colorname defined by the
|
||||
pre-defined colors (see below) or a color name defined by the
|
||||
dump_modify color option.
|
||||
|
||||
For continuous color maps, each entry has a {value} and a {color}.
|
||||
The {value} is either a number within the range of values or {min} or
|
||||
{max}. The {value} of the first entry must be {min} and the {value}
|
||||
of hte last entry must be {max}. Any entries in between must have
|
||||
of the last entry must be {max}. Any entries in between must have
|
||||
increasing values. Note that numeric values can be specified either
|
||||
as absolute numbers or as fractions (0.0 to 1.0) of the range,
|
||||
depending on the "a" or "f" in the style setting for the color map.
|
||||
|
|
@ -217,11 +217,11 @@ For discrete color maps, each entry has a {lo} and {hi} value and a
|
|||
{color}. The {lo} and {hi} settings are either numbers within the
|
||||
range of values or {lo} can be {min} or {hi} can be {max}. The {lo}
|
||||
and {hi} settings of the last entry must be {min} and {max}. Other
|
||||
entries can have any {lo} and {hi} values, including sub-ranges of
|
||||
values that overlap. Note that numeric {lo} and {hi} values can be
|
||||
specified either as absolute numbers or as fractions (0.0 to 1.0) of
|
||||
the range, depending on the "a" or "f" in the style setting for the
|
||||
color map.
|
||||
entries can have any {lo} and {hi} values and the sub-ranges of
|
||||
different values can overlap. Note that numeric {lo} and {hi} values
|
||||
can be specified either as absolute numbers or as fractions (0.0 to
|
||||
1.0) of the range, depending on the "a" or "f" in the style setting
|
||||
for the color map.
|
||||
|
||||
Here is how the entries are used to determine the color of an
|
||||
individual atom, given the value X of its atom attribute. The entries
|
||||
|
|
@ -277,7 +277,7 @@ all types from 1 to N. A leading asterisk means all types from 1 to n
|
|||
(inclusive).
|
||||
|
||||
The specified {color} can be a single color which is any of the 140
|
||||
pre-defined colors (see below) or a colorname defined by the
|
||||
pre-defined colors (see below) or a color name defined by the
|
||||
dump_modify color option. Or it can be two or more colors separated
|
||||
by a "/" character, e.g. red/green/blue. In the former case, that
|
||||
color is assigned to all the specified bond types. In the latter
|
||||
|
|
@ -298,9 +298,9 @@ e.g. Angstroms.
|
|||
|
||||
:line
|
||||
|
||||
The {bgcolor} keyword applies only to the dump {image} style. It sets
|
||||
the background color of each image. The color name can be any of the
|
||||
140 pre-defined colors (see below) or a colorname defined by the
|
||||
The {backcolor} keyword applies only to the dump {image} style. It
|
||||
sets the background color of the images. The color name can be any of
|
||||
the 140 pre-defined colors (see below) or a color name defined by the
|
||||
dump_modify color option.
|
||||
|
||||
:line
|
||||
|
|
@ -309,7 +309,22 @@ The {boxcolor} keyword applies only to the dump {image} style. It
|
|||
sets the color of the simulation box drawn around the atoms in each
|
||||
image. See the "dump image box" command for how to specify that a box
|
||||
be drawn. The color name can be any of the 140 pre-defined colors
|
||||
(see below) or a colorname defined by the dump_modify color option.
|
||||
(see below) or a color name defined by the dump_modify color option.
|
||||
|
||||
:line
|
||||
|
||||
The {color} keyword applies only to the dump {image} style. It allows
|
||||
definition of a new color name, in addition to the 140-predefined
|
||||
colors (see below), and associates 3 red/green/blue RGB values with
|
||||
that color name. The color name can then be used with any other
|
||||
dump_modify keyword that takes a color name as a value. The RGB
|
||||
values should each be floating point values between 0.0 and 1.0
|
||||
inclusive.
|
||||
|
||||
When a color name is converted to RGB values, the user-defined color
|
||||
names are searched first, then the 140 pre-defined color names. This
|
||||
means you can also use the {color} keyword to overwrite one of the
|
||||
pre-defined color names with new RBG values.
|
||||
|
||||
:line
|
||||
|
||||
|
|
@ -504,7 +519,7 @@ amap = min max cf 2 0.0 blue 1.0 red
|
|||
append = no
|
||||
bcolor = * red/green/blue/yellow/aqua/cyan
|
||||
bdiam = * 0.5
|
||||
bgcolor = black
|
||||
backcolor = black
|
||||
boxcolor = yellow
|
||||
color = 140 color names are pre-defined as listed below
|
||||
element = "C" for every atom type
|
||||
|
|
|
|||
|
|
@ -83,8 +83,8 @@ when they are output in <A HREF = "dump.html">dump</A> files. It can be useful
|
|||
debugging purposes; i.e. positioning an atom at a precise location to
|
||||
compute subsequent forces or energy.
|
||||
</P>
|
||||
<P>The style <I>atom</I> selects one or more atoms in a range of atom IDs.
|
||||
The style <I>type</I> selects all the atoms in a range of types. The style
|
||||
<P>The style <I>atom</I> selects all the atoms in a range of atom IDs. The
|
||||
style <I>type</I> selects all the atoms in a range of types. The style
|
||||
<I>mol</I> selects all the atoms in a range of molecule IDs.
|
||||
</P>
|
||||
<P>In each of the range cases, a single value can be specified, or a
|
||||
|
|
|
|||
|
|
@ -78,8 +78,8 @@ when they are output in "dump"_dump.html files. It can be useful for
|
|||
debugging purposes; i.e. positioning an atom at a precise location to
|
||||
compute subsequent forces or energy.
|
||||
|
||||
The style {atom} selects one or more atoms in a range of atom IDs.
|
||||
The style {type} selects all the atoms in a range of types. The style
|
||||
The style {atom} selects all the atoms in a range of atom IDs. The
|
||||
style {type} selects all the atoms in a range of types. The style
|
||||
{mol} selects all the atoms in a range of molecule IDs.
|
||||
|
||||
In each of the range cases, a single value can be specified, or a
|
||||
|
|
|
|||
Loading…
Reference in New Issue