diff --git a/doc/src/angle_coeff.rst b/doc/src/angle_coeff.rst index 1e54f69051..5f9a71371a 100644 --- a/doc/src/angle_coeff.rst +++ b/doc/src/angle_coeff.rst @@ -1,13 +1,13 @@ -.. index:: angle\_coeff +.. index:: angle_coeff -angle\_coeff command -==================== +angle_coeff command +=================== Syntax """""" -.. parsed-literal:: +.. code-block:: LAMMPS angle_coeff N args @@ -18,11 +18,11 @@ Examples """""""" -.. parsed-literal:: +.. code-block:: LAMMPS angle_coeff 1 300.0 107.0 - angle_coeff \* 5.0 - angle_coeff 2\*10 5.0 + angle_coeff * 5.0 + angle_coeff 2*10 5.0 Description """"""""""" @@ -30,7 +30,7 @@ Description Specify the angle force field coefficients for one or more angle types. The number and meaning of the coefficients depends on the angle style. Angle coefficients can also be set in the data file read by the -:doc:`read\_data ` command or in a restart file. +:doc:`read_data ` command or in a restart file. N 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 asterisk can be @@ -41,18 +41,18 @@ 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). -Note that using an angle\_coeff command can override a previous setting +Note that using an :doc:`angle_coeff ` command can override a previous setting for the same angle type. For example, these commands set the coeffs for all angle types, then overwrite the coeffs for just angle type 2: -.. parsed-literal:: +.. code-block:: LAMMPS - angle_coeff \* 200.0 107.0 1.2 + angle_coeff * 200.0 107.0 1.2 angle_coeff 2 50.0 107.0 A line in a data file that specifies angle coefficients uses the exact -same format as the arguments of the angle\_coeff command in an input +same format as the arguments of the :doc:`angle_coeff ` command in an input script, except that wild-card asterisks should not be used since coefficients for all N types must be listed in the file. For example, under the "Angle Coeffs" section of a data file, the line that @@ -63,7 +63,7 @@ corresponds to the 1st example above would be listed as 1 300.0 107.0 -The :doc:`angle\_style class2 ` is an exception to this +The :doc:`angle_style class2 ` is an exception to this rule, in that an additional argument is used in the input script to allow specification of the cross-term coefficients. See its doc page for details. @@ -73,13 +73,13 @@ doc page for details. The list of all angle styles defined in LAMMPS is given on the -:doc:`angle\_style ` doc page. They are also listed in more +:doc:`angle_style ` doc page. They are also listed in more compact form on the :ref:`Commands angle ` doc page. On either of those pages, click on the style to display the formula it computes and its coefficients as specified by the associated -angle\_coeff command. +:doc:`angle_coeff ` command. ---------- @@ -90,8 +90,8 @@ Restrictions This command must come after the simulation box is defined by a -:doc:`read\_data `, :doc:`read\_restart `, or -:doc:`create\_box ` command. +:doc:`read_data `, :doc:`read_restart `, or +:doc:`create_box ` command. An angle style must be defined before any angle coefficients are set, either in the input script or in a data file. @@ -99,11 +99,6 @@ set, either in the input script or in a data file. Related commands """""""""""""""" -:doc:`angle\_style ` +:doc:`angle_style ` **Default:** none - - -.. _lws: http://lammps.sandia.gov -.. _ld: Manual.html -.. _lc: Commands_all.html diff --git a/doc/txt/angle_coeff.txt b/doc/txt/angle_coeff.txt deleted file mode 100644 index 5dc9c13381..0000000000 --- a/doc/txt/angle_coeff.txt +++ /dev/null @@ -1,87 +0,0 @@ -"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c - -:link(lws,http://lammps.sandia.gov) -:link(ld,Manual.html) -:link(lc,Commands_all.html) - -:line - -angle_coeff command :h3 - -[Syntax:] - -angle_coeff N args :pre - -N = angle type (see asterisk form below) -args = coefficients for one or more angle types :ul - -[Examples:] - -angle_coeff 1 300.0 107.0 -angle_coeff * 5.0 -angle_coeff 2*10 5.0 :pre - -[Description:] - -Specify the angle force field coefficients for one or more angle types. -The number and meaning of the coefficients depends on the angle style. -Angle coefficients can also be set in the data file read by the -"read_data"_read_data.html command or in a restart file. - -N 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 asterisk can be -used to set the coefficients for multiple angle types. This takes the -form "*" or "*n" or "n*" or "m*n". If N = the number of angle types, -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). - -Note that using an angle_coeff command can override a previous setting -for the same angle type. For example, these commands set the coeffs -for all angle types, then overwrite the coeffs for just angle type 2: - -angle_coeff * 200.0 107.0 1.2 -angle_coeff 2 50.0 107.0 :pre - -A line in a data file that specifies angle coefficients uses the exact -same format as the arguments of the angle_coeff command in an input -script, except that wild-card asterisks should not be used since -coefficients for all N types must be listed in the file. For example, -under the "Angle Coeffs" section of a data file, the line that -corresponds to the 1st example above would be listed as - -1 300.0 107.0 :pre - -The "angle_style class2"_angle_class2.html is an exception to this -rule, in that an additional argument is used in the input script to -allow specification of the cross-term coefficients. See its -doc page for details. - -:line - -The list of all angle styles defined in LAMMPS is given on the -"angle_style"_angle_style.html doc page. They are also listed in more -compact form on the "Commands angle"_Commands_bond.html#angle doc -page. - -On either of those pages, click on the style to display the formula it -computes and its coefficients as specified by the associated -angle_coeff command. - -:line - -[Restrictions:] - -This command must come after the simulation box is defined by a -"read_data"_read_data.html, "read_restart"_read_restart.html, or -"create_box"_create_box.html command. - -An angle style must be defined before any angle coefficients are -set, either in the input script or in a data file. - -[Related commands:] - -"angle_style"_angle_style.html - -[Default:] none