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Commit b5ffafc3 authored by sjplimp's avatar sjplimp
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12302 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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......@@ -13,20 +13,20 @@
</H3>
<P><B>Syntax:</B>
</P>
<PRE>delete_bonds group-ID style args keyword ...
<PRE>delete_bonds group-ID style arg keyword ...
</PRE>
<UL><LI>group-ID = group ID
<LI>style = <I>multi</I> or <I>atom</I> or <I>bond</I> or <I>angle</I> or <I>dihedral</I> or
<I>improper</I> or <I>stats</I>
<PRE> <I>multi</I> args = none
<I>atom</I> args = an atom type
<I>bond</I> args = a bond type
<I>angle</I> args = an angle type
<I>dihedral</I> args = a dihedral type
<I>improper</I> args = an improper type
<I>stats</I> args = none
<PRE> <I>multi</I> arg = none
<I>atom</I> arg = an atom type or range of types (see below)
<I>bond</I> arg = a bond type or range of types (see below)
<I>angle</I> arg = an angle type or range of types (see below)
<I>dihedral</I> arg = a dihedral type or range of types (see below)
<I>improper</I> arg = an improper type or range of types (see below)
<I>stats</I> arg = none
</PRE>
<LI>zero or more keywords may be appended
......@@ -38,6 +38,7 @@
</P>
<PRE>delete_bonds frozen multi remove
delete_bonds all atom 4 special
delete_bonds all bond 0*3 special
delete_bonds all stats
</PRE>
<P><B>Description:</B>
......@@ -55,6 +56,20 @@ bond and angle interactions.
if all the atoms involved are in the specified group. See the <I>any</I>
keyword to change the behavior.
</P>
<P>Several of the styles (<I>atom</I>, <I>bond</I>, <I>angle</I>, <I>dihedral</I>,
<I>improper</I>) take a <I>type</I> as an argument. The specified <I>type</I> should
be an integer from 0 to N, where N is the number of relevant types
(atom types, bond types, etc). A value of 0 is only relevant for
style <I>bond</I>; see details below. In all cases, a wildcard asterisk
can be used in place of or in conjunction with the <I>type</I> argument to
specify a range of types. This takes the form "*" or "*n" or "n*" or
"m*n". If N = the number of types, then an asterisk with no numeric
values means all types from 0 to N. A leading asterisk means all
types from 0 to n (inclusive). A trailing asterisk means all types
from n to N (inclusive). A middle asterisk means all types from m to
n (inclusive). Note that it is fine to include a type of 0 for
non-bond styles; it will simply be ignored.
</P>
<P>For style <I>multi</I> all bond, angle, dihedral, and improper interactions
of any type, involving atoms in the group, are turned off.
</P>
......@@ -97,10 +112,11 @@ keyword is used).
</P>
<P>The <I>undo</I> keyword inverts the delete_bonds command so that the
specified bonds, angles, etc are turned on if they are currently
turned off. This means a negative value is toggled to positive.
Note that the <A HREF = "fix_shake.html">fix shake</A> command also sets bond and
angle types negative, so this option should not be used on those
interactions.
turned off. This means a negative value is toggled to positive. For
example, for style <I>angle</I>, if <I>type</I> is specified as 2, then all
angles with current type = -2, are reset to type = 2. Note that the
<A HREF = "fix_shake.html">fix shake</A> command also sets bond and angle types
negative, so this option should not be used on those interactions.
</P>
<P>The <I>remove</I> keyword is invoked at the end of the delete_bonds
operation. It causes turned-off bonds (angles, etc) to be removed
......
......@@ -10,18 +10,18 @@ delete_bonds command :h3
[Syntax:]
delete_bonds group-ID style args keyword ... :pre
delete_bonds group-ID style arg keyword ... :pre
group-ID = group ID :ulb,l
style = {multi} or {atom} or {bond} or {angle} or {dihedral} or
{improper} or {stats} :l
{multi} args = none
{atom} args = an atom type
{bond} args = a bond type
{angle} args = an angle type
{dihedral} args = a dihedral type
{improper} args = an improper type
{stats} args = none :pre
{multi} arg = none
{atom} arg = an atom type or range of types (see below)
{bond} arg = a bond type or range of types (see below)
{angle} arg = an angle type or range of types (see below)
{dihedral} arg = a dihedral type or range of types (see below)
{improper} arg = an improper type or range of types (see below)
{stats} arg = none :pre
zero or more keywords may be appended :l
keyword = {any} or {undo} or {remove} or {special} :l
:ule
......@@ -30,6 +30,7 @@ keyword = {any} or {undo} or {remove} or {special} :l
delete_bonds frozen multi remove
delete_bonds all atom 4 special
delete_bonds all bond 0*3 special
delete_bonds all stats :pre
[Description:]
......@@ -47,6 +48,20 @@ For all styles, by default, an interaction is only turned off (or on)
if all the atoms involved are in the specified group. See the {any}
keyword to change the behavior.
Several of the styles ({atom}, {bond}, {angle}, {dihedral},
{improper}) take a {type} as an argument. The specified {type} should
be an integer from 0 to N, where N is the number of relevant types
(atom types, bond types, etc). A value of 0 is only relevant for
style {bond}; see details below. In all cases, a wildcard asterisk
can be used in place of or in conjunction with the {type} argument to
specify a range of types. This takes the form "*" or "*n" or "n*" or
"m*n". If N = the number of types, then an asterisk with no numeric
values means all types from 0 to N. A leading asterisk means all
types from 0 to n (inclusive). A trailing asterisk means all types
from n to N (inclusive). A middle asterisk means all types from m to
n (inclusive). Note that it is fine to include a type of 0 for
non-bond styles; it will simply be ignored.
For style {multi} all bond, angle, dihedral, and improper interactions
of any type, involving atoms in the group, are turned off.
......@@ -89,10 +104,11 @@ keyword is used).
The {undo} keyword inverts the delete_bonds command so that the
specified bonds, angles, etc are turned on if they are currently
turned off. This means a negative value is toggled to positive.
Note that the "fix shake"_fix_shake.html command also sets bond and
angle types negative, so this option should not be used on those
interactions.
turned off. This means a negative value is toggled to positive. For
example, for style {angle}, if {type} is specified as 2, then all
angles with current type = -2, are reset to type = 2. Note that the
"fix shake"_fix_shake.html command also sets bond and angle types
negative, so this option should not be used on those interactions.
The {remove} keyword is invoked at the end of the delete_bonds
operation. It causes turned-off bonds (angles, etc) to be removed
......
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