Add Coulomb sections in TIP4P page
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@ -68,7 +68,31 @@ given by
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\left(\frac{\sigma}{r}\right)^6 \right]
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\qquad r < r_c
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and implement the TIP4P
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:math:`r_c` is the cutoff.
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They add Coulombic pairwise interactions given by
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.. math::
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E = \frac{C q_i q_j}{\epsilon r} \qquad r < r_c
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where :math:`C` is an energy-conversion constant, :math:`q_i` and :math:`q_j`
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are the charges on the 2 atoms, and :math:`\epsilon` is the dielectric
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constant which can be set by the :doc:`dielectric <dielectric>` command.
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If one cutoff is specified in the pair_style command, it is used for
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both the LJ and Coulombic terms. If two cutoffs are specified, they are
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used as cutoffs for the LJ and Coulombic terms respectively.
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Style *lj/cut/tip4p/long* compute the same
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Coulombic interactions as style *lj/cut/tip4p/cut* except that an
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additional damping factor is applied to the Coulombic term so it can
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be used in conjunction with the :doc:`kspace_style <kspace_style>`
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command and its *ewald* or *pppm* option. The Coulombic cutoff
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specified for this style means that pairwise interactions within this
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distance are computed directly; interactions outside that distance are
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computed in reciprocal space.
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The *lj/cut/tip4p* styles implement the TIP4P
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water model of :ref:`(Jorgensen) <Jorgensen2>`, which introduces a massless
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site located a short distance away from the oxygen atom along the
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bisector of the HOH angle. The atomic types of the oxygen and
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