apply spelling fixes and update formatting a little
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@ -115,7 +115,7 @@ data files and obtain a list of dictionaries.
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Line Delimited JSON (LD-JSON)
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Line Delimited JSON (LD-JSON)
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-----------------------------
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-----------------------------
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The JSON format itself is very strict when it comes to delimiters. For continous
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The JSON format itself is very strict when it comes to delimiters. For continuous
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output/streaming data it is beneficial use the *line delimited JSON* format.
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output/streaming data it is beneficial use the *line delimited JSON* format.
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Each line represents one JSON object.
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Each line represents one JSON object.
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@ -85,20 +85,20 @@ Matter papers: :ref:`(Duffy) <Duffy>` and :ref:`(Rutherford)
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a primary knock-on atom (PKA) was initialized with a high velocity to
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a primary knock-on atom (PKA) was initialized with a high velocity to
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simulate a radiation event.
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simulate a radiation event.
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The description in this sub-section applies to all 3 of the fixes: fix
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The description in this sub-section applies to all 3 fix styles:
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ttm, fix ttm/grid, and fix ttm/mod.
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*ttm*, *ttm/grid*, and *ttm/mod*.
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Fix ttm/grid distributes the regular grid across processors consistent
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Fix *ttm/grid* distributes the regular grid across processors consistent
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with the subdomains of atoms owned by each processor, but is otherwise
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with the sub-domains of atoms owned by each processor, but is otherwise
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identical to fix ttm. Note that fix ttm stores a copy of the grid on
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identical to fix ttm. Note that fix *ttm* stores a copy of the grid on
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each processor, which is fine when the overall grid is reasonably
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each processor, which is acceptable when the overall grid is reasonably
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small. For very large grids you should use fix ttt/grid instead.
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small. For larger grids you should use fix *ttm/grid* instead.
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Fix ttm/mod adds options to account for external heat sources (e.g. at
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Fix *ttm/mod* adds options to account for external heat sources (e.g. at
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a surface) and for specifying parameters that allow the electronic
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a surface) and for specifying parameters that allow the electronic
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heat capacity to depend strongly on electronic temperature. It is
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heat capacity to depend strongly on electronic temperature. It is
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more expensive computationally than fix ttm because it treats the
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more expensive computationally than fix *ttm* because it treats the
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thermal diffusion equation as non-linear. More details on fix ttm/mod
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thermal diffusion equation as non-linear. More details on fix *ttm/mod*
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are given below.
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are given below.
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Heat transfer between the electronic and atomic subsystems is carried
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Heat transfer between the electronic and atomic subsystems is carried
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@ -169,11 +169,11 @@ ttm/mod.
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periodic boundary conditions in all dimensions. They also require
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periodic boundary conditions in all dimensions. They also require
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that the size and shape of the simulation box do not vary
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that the size and shape of the simulation box do not vary
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dynamically, e.g. due to use of the :doc:`fix npt <fix_nh>` command.
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dynamically, e.g. due to use of the :doc:`fix npt <fix_nh>` command.
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Likewise, the size/shape of processor subdomains cannot vary due to
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Likewise, the size/shape of processor sub-domains cannot vary due to
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dynamic load-balancing via use of the :doc:`fix balance
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dynamic load-balancing via use of the :doc:`fix balance
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<fix_balance>` command. It is possible however to load balance
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<fix_balance>` command. It is possible however to load balance
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before the simulation starts using the :doc:`balance <balance>`
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before the simulation starts using the :doc:`balance <balance>`
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command, so that each processor has a different size subdomain.
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command, so that each processor has a different size sub-domain.
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Periodic boundary conditions are also used in the heat equation solve
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Periodic boundary conditions are also used in the heat equation solve
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for the electronic subsystem. This varies from the approach of
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for the electronic subsystem. This varies from the approach of
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@ -238,7 +238,7 @@ by this fix.
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**Additional details for fix ttm/mod**
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**Additional details for fix ttm/mod**
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Fix ttm/mod uses the heat diffusion equation with possible external
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Fix *ttm/mod* uses the heat diffusion equation with possible external
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heat sources (e.g. laser heating in ablation simulations):
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heat sources (e.g. laser heating in ablation simulations):
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.. math::
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.. math::
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@ -2281,6 +2281,7 @@ normals
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Noskov
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Noskov
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noslip
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noslip
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noticable
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noticable
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Nout
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noutcol
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noutcol
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Noutput
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Noutput
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noutrow
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noutrow
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