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Update pair_dpd_coul_slater_long.rst

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Eddy Barraud
2024-06-13 11:43:57 +02:00
parent 35cbc84329
commit 8bbbe2dd6b
1 changed files with 5 additions and 19 deletions
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doc/src/pair_dpd_coul_slater_long.rst
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@ -20,7 +20,7 @@ Syntax
* seed = random # seed (positive integer)
* lambda = decay length of the charge (distance units)
* cutoff_coul = real part cutoff for Coulombic interactions (distance units)
* I,J = numeric atom types (see asterisk form below), or type labels
* I,J = numeric atom types, or type labels
* Gamma = DPD Gamma coefficient
* is_charged (boolean) set to yes if I and J are charged beads
@ -51,9 +51,9 @@ of 4 terms
.. math::
\vec{f} = & (F^C + F^D + F^R + F^E) \hat{r_{ij}} \\
F^C = & A w(r) \qquad \qquad r < r_c \\
F^C = & A w(r) \qquad \qquad \qquad \qquad \qquad r < r_c \\
F^D = & - \gamma w^2(r) (\hat{r_{ij}} \bullet \vec{v}_{ij}) \qquad \qquad r < r_c \\
F^R = & \sigma w(r) \alpha (\Delta t)^{-1/2} \qquad \qquad r < r_c \\
F^R = & \sigma w(r) \alpha (\Delta t)^{-1/2} \qquad \qquad \qquad r < r_c \\
w(r) = & 1 - \frac{r}{r_c} \\
F^E = & \frac{Cq_iq_j}{\epsilon r^2} \left( 1- exp\left( \frac{2r_{ij}}{\lambda} \right) \left( 1 + \frac{2r_{ij}}{\lambda} \left( 1 + \frac{r_{ij}}{\lambda} \right)\right) \right)
@ -84,9 +84,6 @@ commands:
* :math:`\gamma` (force/velocity units)
* is_charged (boolean)
Note that sigma is set equal to sqrt(2 T gamma),
where T is the temperature set by the :doc:`pair_style <pair_style>`
command so it does not need to be specified.
.. note::
@ -161,14 +158,13 @@ Related commands
""""""""""""""""
:doc:`pair_style dpd <pair_dpd>`, :doc:`pair_style coul/slater/long <pair_coul_slater>`,
:doc:`pair_coeff <pair_coeff>`,
:doc:`fix nvt <fix_nh>`, :doc:`fix langevin <fix_langevin>`,
:doc:`pair_coeff <pair_coeff>`, :doc:`fix nvt <fix_nh>`, :doc:`fix langevin <fix_langevin>`,
:doc:`pair_style srp <pair_srp>`, :doc:`fix mvv/dpd <fix_mvv_dpd>`.
Default
"""""""
none
is_charged = no
----------
@ -176,16 +172,6 @@ none
**(Groot)** Groot and Warren, J Chem Phys, 107, 4423-35 (1997).
.. _Afshar:
**(Afshar)** Afshar, F. Schmid, A. Pishevar, S. Worley, Comput Phys
Comm, 184, 1119-1128 (2013).
.. _Phillips:
**(Phillips)** C. L. Phillips, J. A. Anderson, S. C. Glotzer, Comput
Phys Comm, 230, 7191-7201 (2011).
.. _Melchor:
**(Melchor)** Gonzalez-Melchor, Mayoral, Velazquez, and Alejandre, J Chem Phys, 125, 224107 (2006).