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