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fix typos, spelling, incorrect markup, and correct and add more details for speedup note

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Axel Kohlmeyer
2024-06-24 20:01:41 -04:00
parent da095a1d79
commit a2fcec6aaa
1 changed files with 15 additions and 11 deletions
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doc/src/pair_dpd_coul_slater_long.rst
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@ -37,7 +37,7 @@ Description
Style *dpd/coul/slater/long* computes a force field for dissipative Style *dpd/coul/slater/long* computes a force field for dissipative
particle dynamics (DPD) following the exposition in :ref:`(Groot) particle dynamics (DPD) following the exposition in :ref:`(Groot)
<GrootS>`. It also allows for the use of charged particles in the <Groot5>`. It also allows for the use of charged particles in the
model by adding a long-range Coulombic term to the DPD interactions. model by adding a long-range Coulombic term to the DPD interactions.
The short-range portion of the Coulombics is calculated by this pair The short-range portion of the Coulombics is calculated by this pair
style. The long-range Coulombics are computed by use of the style. The long-range Coulombics are computed by use of the
@ -55,8 +55,11 @@ the Coulomb potential, following the formulation in :ref:`(Melchor1)
This pair style is effectively the combination of the This pair style is effectively the combination of the
:doc:`pair_style dpd <pair_dpd>` and :doc:`pair_style :doc:`pair_style dpd <pair_dpd>` and :doc:`pair_style
coul/slater/long <pair_coul_slater>` commands, but should be more coul/slater/long <pair_coul_slater>` commands, but should be more
efficient (especially on GPUs) than using :doc:`pair_style hybrid efficient (especially on GPUs) than using :doc:`pair_style
dpd coul/slater/long <pair_hybrid>`. hybrid/overlay dpd coul/slater/long <pair_hybrid>`. That is
particularly true for the GPU package version of the pair style since
this version is compatible with computing neighbor lists on the GPU
instead of the CPU as is required for hybrid styles.
In the charged DPD model, the force on bead I due to bead J is given In the charged DPD model, the force on bead I due to bead J is given
as a sum of 4 terms: as a sum of 4 terms:
@ -84,11 +87,11 @@ weighting factor that varies between 0 and 1.
parameter in the pair_style command. parameter in the pair_style command.
:math:`r_{DPD}` is the pairwise cutoff for the first 3 DPD terms in :math:`r_{DPD}` is the pairwise cutoff for the first 3 DPD terms in
the formula as specified by {cutoff_DPD}. For the :math:`F^E` term, the formula as specified by *cutoff_DPD*. For the :math:`F^E` term,
pairwise interactions within the specified {cutoff_coul} distance are pairwise interactions within the specified *cutoff_coul* distance are
computed directly; interactions beyond that distance are computed in computed directly; interactions beyond that distance are computed in
reciprocal space. {C} is the same Coulomb conversion factor used in reciprocal space. *C* is the same Coulomb conversion factor used in
the Coulombic formulas decribed on the :doc:`pair_coul <pair_coul>` the Coulombic formulas described on the :doc:`pair_coul <pair_coul>`
doc page. doc page.
The following parameters must be defined for each pair of atoms types The following parameters must be defined for each pair of atoms types
@ -101,10 +104,11 @@ commands:
* :math:`\gamma` (force/velocity units) * :math:`\gamma` (force/velocity units)
* is_charged (optional boolean, default = no) * is_charged (optional boolean, default = no)
The {is_charged} parameter is optional and can be specified as {yes} The *is_charged* parameter is optional and can be specified as *yes* or
or {no}. {Yes} should be used for interactions betwenn two types of *no*. *Yes* should be used for interactions between two types of
charged particles. {No} is the default and should be used for charged particles. *No* is the default and should be used for
interactions between two types of particleswhen one or both are uncharged. interactions between two types of particles when one or both are
uncharged.
---------- ----------