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@ -15,7 +15,7 @@
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</P>
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</P>
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<PRE>dipole I value
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<PRE>dipole I value
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</PRE>
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</PRE>
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<UL><LI>I = atom type (see asterik form below)
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<UL><LI>I = atom type (see asterisk form below)
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<LI>value = dipole
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<LI>value = dipole
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</UL>
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</UL>
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<P><B>Examples:</B>
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<P><B>Examples:</B>
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@ -34,17 +34,17 @@ in the <A HREF = "read_data.html">read_data</A> data file. See the
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<A HREF = "units.html">units</A> command for a discussion of dipole units.
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<A HREF = "units.html">units</A> command for a discussion of dipole units.
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</P>
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</P>
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<P>I can be specified in one of two ways. An explicit numeric value can
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<P>I can be specified in one of two ways. An explicit numeric value can
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be used, as in the 1st example above. Or a wild-card asterik can be
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be used, as in the 1st example above. Or a wild-card asterisk can be
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used to set the dipole moment for multiple atom types. This takes the
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used to set the dipole moment for multiple atom types. This takes the
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form "*" or "*n" or "n*" or "m*n". If N = the number of atom types,
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form "*" or "*n" or "n*" or "m*n". If N = the number of atom types,
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then an asterik with no numeric values means all types from 1 to N. A
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then an asterisk with no numeric values means all types from 1 to N. A
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leading asterik means all types from 1 to n (inclusive). A trailing
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leading asterisk means all types from 1 to n (inclusive). A trailing
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asterik means all types from n to N (inclusive). A middle asterik
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asterisk means all types from n to N (inclusive). A middle asterisk
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means all types from m to n (inclusive).
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means all types from m to n (inclusive).
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</P>
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</P>
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<P>A line in a data file that specifies a dipole moement uses the exact
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<P>A line in a data file that specifies a dipole moment uses the exact
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same format as the arguments of the dipole command in an input script,
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same format as the arguments of the dipole command in an input script,
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except that no wild-card asterik can be used. For example, under the
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except that no wild-card asterisk can be used. For example, under the
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"Dipoles" section of a data file, the line that corresponds to the 1st
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"Dipoles" section of a data file, the line that corresponds to the 1st
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example above would be listed as
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example above would be listed as
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</P>
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</P>
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@ -12,7 +12,7 @@ dipole command :h3
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dipole I value :pre
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dipole I value :pre
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I = atom type (see asterik form below)
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I = atom type (see asterisk form below)
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value = dipole :ul
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value = dipole :ul
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[Examples:]
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[Examples:]
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@ -31,17 +31,17 @@ in the "read_data"_read_data.html data file. See the
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"units"_units.html command for a discussion of dipole units.
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"units"_units.html command for a discussion of dipole units.
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I can be specified in one of two ways. An explicit numeric value can
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I can be specified in one of two ways. An explicit numeric value can
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be used, as in the 1st example above. Or a wild-card asterik can be
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be used, as in the 1st example above. Or a wild-card asterisk can be
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used to set the dipole moment for multiple atom types. This takes the
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used to set the dipole moment for multiple atom types. This takes the
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form "*" or "*n" or "n*" or "m*n". If N = the number of atom types,
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form "*" or "*n" or "n*" or "m*n". If N = the number of atom types,
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then an asterik with no numeric values means all types from 1 to N. A
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then an asterisk with no numeric values means all types from 1 to N. A
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leading asterik means all types from 1 to n (inclusive). A trailing
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leading asterisk means all types from 1 to n (inclusive). A trailing
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asterik means all types from n to N (inclusive). A middle asterik
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asterisk means all types from n to N (inclusive). A middle asterisk
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means all types from m to n (inclusive).
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means all types from m to n (inclusive).
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A line in a data file that specifies a dipole moement uses the exact
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A line in a data file that specifies a dipole moment uses the exact
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same format as the arguments of the dipole command in an input script,
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same format as the arguments of the dipole command in an input script,
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except that no wild-card asterik can be used. For example, under the
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except that no wild-card asterisk can be used. For example, under the
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"Dipoles" section of a data file, the line that corresponds to the 1st
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"Dipoles" section of a data file, the line that corresponds to the 1st
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example above would be listed as
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example above would be listed as
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