forked from lijiext/lammps
Update docs: angle_coeff
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Richard Berger
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@ -1,13 +1,13 @@
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.. index:: angle\_coeff
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.. index:: angle_coeff
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angle\_coeff command
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====================
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angle_coeff command
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===================
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Syntax
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""""""
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.. parsed-literal::
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.. code-block:: LAMMPS
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angle_coeff N args
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@ -18,11 +18,11 @@ Examples
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""""""""
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.. parsed-literal::
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.. code-block:: LAMMPS
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angle_coeff 1 300.0 107.0
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angle_coeff \* 5.0
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angle_coeff 2\*10 5.0
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angle_coeff * 5.0
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angle_coeff 2*10 5.0
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Description
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"""""""""""
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@ -30,7 +30,7 @@ Description
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Specify the angle force field coefficients for one or more angle types.
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The number and meaning of the coefficients depends on the angle style.
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Angle coefficients can also be set in the data file read by the
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:doc:`read\_data <read_data>` command or in a restart file.
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:doc:`read_data <read_data>` command or in a restart file.
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N 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 asterisk can be
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@ -41,18 +41,18 @@ leading asterisk means all types from 1 to n (inclusive). A trailing
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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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Note that using an angle\_coeff command can override a previous setting
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Note that using an :doc:`angle_coeff <angle_coeff>` command can override a previous setting
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for the same angle type. For example, these commands set the coeffs
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for all angle types, then overwrite the coeffs for just angle type 2:
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.. parsed-literal::
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.. code-block:: LAMMPS
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angle_coeff \* 200.0 107.0 1.2
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angle_coeff * 200.0 107.0 1.2
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angle_coeff 2 50.0 107.0
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A line in a data file that specifies angle coefficients uses the exact
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same format as the arguments of the angle\_coeff command in an input
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same format as the arguments of the :doc:`angle_coeff <angle_coeff>` command in an input
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script, except that wild-card asterisks should not be used since
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coefficients for all N types must be listed in the file. For example,
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under the "Angle Coeffs" section of a data file, the line that
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@ -63,7 +63,7 @@ corresponds to the 1st example above would be listed as
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1 300.0 107.0
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The :doc:`angle\_style class2 <angle_class2>` is an exception to this
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The :doc:`angle_style class2 <angle_class2>` is an exception to this
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rule, in that an additional argument is used in the input script to
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allow specification of the cross-term coefficients. See its
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doc page for details.
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@ -73,13 +73,13 @@ doc page for details.
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The list of all angle styles defined in LAMMPS is given on the
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:doc:`angle\_style <angle_style>` doc page. They are also listed in more
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:doc:`angle_style <angle_style>` doc page. They are also listed in more
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compact form on the :ref:`Commands angle <angle>` doc
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page.
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On either of those pages, click on the style to display the formula it
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computes and its coefficients as specified by the associated
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angle\_coeff command.
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:doc:`angle_coeff <angle_coeff>` command.
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----------
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@ -90,8 +90,8 @@ Restrictions
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This command must come after the simulation box is defined by a
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:doc:`read\_data <read_data>`, :doc:`read\_restart <read_restart>`, or
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:doc:`create\_box <create_box>` command.
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:doc:`read_data <read_data>`, :doc:`read_restart <read_restart>`, or
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:doc:`create_box <create_box>` command.
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An angle style must be defined before any angle coefficients are
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set, either in the input script or in a data file.
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@ -99,11 +99,6 @@ set, either in the input script or in a data file.
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Related commands
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""""""""""""""""
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:doc:`angle\_style <angle_style>`
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:doc:`angle_style <angle_style>`
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**Default:** none
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.. _lws: http://lammps.sandia.gov
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.. _ld: Manual.html
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.. _lc: Commands_all.html
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@ -1,87 +0,0 @@
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"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
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:link(lws,http://lammps.sandia.gov)
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:link(ld,Manual.html)
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:link(lc,Commands_all.html)
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:line
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angle_coeff command :h3
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[Syntax:]
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angle_coeff N args :pre
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N = angle type (see asterisk form below)
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args = coefficients for one or more angle types :ul
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[Examples:]
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angle_coeff 1 300.0 107.0
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angle_coeff * 5.0
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angle_coeff 2*10 5.0 :pre
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[Description:]
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Specify the angle force field coefficients for one or more angle types.
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The number and meaning of the coefficients depends on the angle style.
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Angle coefficients can also be set in the data file read by the
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"read_data"_read_data.html command or in a restart file.
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N 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 asterisk can be
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used to set the coefficients for multiple angle types. This takes the
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form "*" or "*n" or "n*" or "m*n". If N = the number of angle types,
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then an asterisk with no numeric values means all types from 1 to N. A
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leading asterisk means all types from 1 to n (inclusive). A trailing
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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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Note that using an angle_coeff command can override a previous setting
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for the same angle type. For example, these commands set the coeffs
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for all angle types, then overwrite the coeffs for just angle type 2:
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angle_coeff * 200.0 107.0 1.2
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angle_coeff 2 50.0 107.0 :pre
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A line in a data file that specifies angle coefficients uses the exact
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same format as the arguments of the angle_coeff command in an input
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script, except that wild-card asterisks should not be used since
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coefficients for all N types must be listed in the file. For example,
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under the "Angle Coeffs" section of a data file, the line that
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corresponds to the 1st example above would be listed as
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1 300.0 107.0 :pre
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The "angle_style class2"_angle_class2.html is an exception to this
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rule, in that an additional argument is used in the input script to
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allow specification of the cross-term coefficients. See its
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doc page for details.
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:line
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The list of all angle styles defined in LAMMPS is given on the
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"angle_style"_angle_style.html doc page. They are also listed in more
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compact form on the "Commands angle"_Commands_bond.html#angle doc
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page.
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On either of those pages, click on the style to display the formula it
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computes and its coefficients as specified by the associated
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angle_coeff command.
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:line
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[Restrictions:]
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This command must come after the simulation box is defined by a
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"read_data"_read_data.html, "read_restart"_read_restart.html, or
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"create_box"_create_box.html command.
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An angle style must be defined before any angle coefficients are
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set, either in the input script or in a data file.
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[Related commands:]
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"angle_style"_angle_style.html
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[Default:] none
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