diff --git a/doc/src/Howto_bioFF.rst b/doc/src/Howto_bioFF.rst index bac1b566e1..9bffe5d4c9 100644 --- a/doc/src/Howto_bioFF.rst +++ b/doc/src/Howto_bioFF.rst @@ -91,6 +91,7 @@ documentation for the formula it computes. * :doc:`bond_style ` harmonic * :doc:`bond_style ` morse +* :doc:`angle_style ` cosine/squared * :doc:`angle_style ` harmonic * :doc:`angle_style ` cosine * :doc:`angle_style ` cosine/periodic diff --git a/doc/src/angle_cosine_periodic.rst b/doc/src/angle_cosine_periodic.rst index 61b6407eb9..ec2426154d 100644 --- a/doc/src/angle_cosine_periodic.rst +++ b/doc/src/angle_cosine_periodic.rst @@ -24,9 +24,8 @@ Examples Description """"""""""" -The *cosine/periodic* angle style uses the following potential, which -is commonly used in the :doc:`DREIDING ` force field, -particularly for organometallic systems where :math:`n` = 4 might be used +The *cosine/periodic* angle style uses the following potential, which may be +particularly used for organometallic systems where :math:`n` = 4 might be used for an octahedral complex and :math:`n` = 3 might be used for a trigonal center: @@ -36,8 +35,6 @@ center: where :math:`C`, :math:`B` and :math:`n` are coefficients defined for each angle type. -See :ref:`(Mayo) ` for a description of the DREIDING force field - The following coefficients must be defined for each angle type via the :doc:`angle_coeff ` command as in the example above, or in the data file or restart files read by the :doc:`read_data ` diff --git a/doc/src/angle_cosine_squared.rst b/doc/src/angle_cosine_squared.rst index 4a6a1debe9..d674eb61d8 100644 --- a/doc/src/angle_cosine_squared.rst +++ b/doc/src/angle_cosine_squared.rst @@ -30,8 +30,11 @@ The *cosine/squared* angle style uses the potential E = K [\cos(\theta) - \cos(\theta_0)]^2 -where :math:`\theta_0` is the equilibrium value of the angle, and :math:`K` is a -prefactor. Note that the usual 1/2 factor is included in :math:`K`. +, which is commonly used in the :doc:`DREIDING ` force field, +where :math:`\theta_0` is the equilibrium value of the angle, and :math:`K` +is a prefactor. Note that the usual 1/2 factor is included in :math:`K`. + +See :ref:`(Mayo) ` for a description of the DREIDING force field. The following coefficients must be defined for each angle type via the :doc:`angle_coeff ` command as in the example above, or in @@ -66,3 +69,10 @@ Default """"""" none + +---------- + +.. _cosine-Mayo: + +**(Mayo)** Mayo, Olfason, Goddard III, J Phys Chem, 94, 8897-8909 +(1990).