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docs/source_docs/user_guide/inputs/InputsProblemDefinition.rst

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		Problem Definition
		==================

		In this section it is described how the input file can be configured in order to
		specify the settings of the problem at hand. The input file must be
		passed as first argument to the MFIX-Exa executable.






		MFIX-Exa settings
		-----------------


		The following inputs must be preceded by "mfix."

		+------------------------+-------------------------------------------------------------------+----------+---------------------+
		\| \| Description \| Type \| Default \|
		+========================+===================================================================+==========+=====================+
		\| gravity \| Gravity vector (e.g., mfix.gravity = -9.81 0.0 0.0) [required] \| Reals \| 0 0 0 \|
		+------------------------+-------------------------------------------------------------------+----------+---------------------+
		\| advect_density \| Switch for turning ON (1) or OFF (0) fluid density evolution \| Int \| 0 \|
		+------------------------+-------------------------------------------------------------------+----------+---------------------+
		\| advect_enthalpy \| Switch for turning ON (1) or OFF (0) fluid temperature evolution \| Int \| 0 \|
		+------------------------+-------------------------------------------------------------------+----------+---------------------+
		\| solve_species \| Switch for turning ON (1) or OFF (0) fluid species mass fraction \| Int \| 0 \|
		\| \| evolution \| \| \|
		+------------------------+-------------------------------------------------------------------+----------+---------------------+
		\| constraint_type \| Select which constraint to apply to the problem. \| String \| IncompressibleFluid \|
		\| \| Available options include: \| \| \|
		\| \| \| \| \|
		\| \| * 'incompressiblefluid' for incompressibility constraint \| \| \|
		\| \| * 'idealgasopensystem' for Ideal Gas-Open System constraint \| \| \|
		\| \| * 'idealgasclosedsystem' for Ideal Gas-Closed System constraint \| \| \|
		+------------------------+-------------------------------------------------------------------+----------+---------------------+


		Species model settings
		----------------------

		Enabling the species mass fraction solver and specifying species model options.

		+----------------------+-------------------------------------------------------------------------+----------+-----------+
		\| \| Description \| Type \| Default \|
		+======================+=========================================================================+==========+===========+
		\| species.solve \| Specified name of the species or None to disable the species solver. \| String \| None \|
		\| \| The name assigned to the species solver is used to specify species \| \| \|
		\| \| inputs. \| \| \|
		+----------------------+-------------------------------------------------------------------------+----------+-----------+


		The following inputs must be preceded by the "species." prefix

		+-------------------------------------------+-------------------------------------------------------+----------+-----------+
		\| \| Description \| Type \| Default \|
		+===========================================+=======================================================+==========+===========+
		\| [specie0].molecular_weight \| Value of species molecular weight. [required if \| Real \| 0 \|
		\| \| fluid.molecular_weight='mixture']. \| \| \|
		+-------------------------------------------+-------------------------------------------------------+----------+-----------+
		\| diffusivity \| Specify which diffusivity model to use for species \| String \| None \|
		\| \| [required]. \| \| \|
		\| \| Available options include: \| \| \|
		\| \| \| \| \|
		\| \| * 'constant' for constant diffusivity model \| \| \|
		+-------------------------------------------+-------------------------------------------------------+----------+-----------+
		\| diffusivity.constant \| Value of constant species diffusivity. [required if \| Real \| 0 \|
		\| \| diffusivity_model='constant']. \| \| \|
		+-------------------------------------------+-------------------------------------------------------+----------+-----------+
		\| specific_heat \| Specify which specific heat model to use for species \| String \| None \|
		\| \| [required if fluid.molecular_weight='mixture']. \| \| \|
		\| \| Available options include: \| \| \|
		\| \| \| \| \|
		\| \| * 'constant' for constant specific heat model \| \| \|
		\| \| * 'nasa7-poly' for NASA7 Polynomials model \| \| \|
		+-------------------------------------------+-------------------------------------------------------+----------+-----------+
		\| [specie0].specific_heat.constant \| Value of constant species diffusivity. [required if \| Real \| 0 \|
		\| \| diffusivity model='constant']. \| \| \|
		+-------------------------------------------+-------------------------------------------------------+----------+-----------+
		\| [specie0].specific_heat.NASA7.a[i] \| Value of i-th coefficient, with i=0,..,6 for NASA7 \| Real \| 0 \|
		\| \| polynomial coefficient [required if specific heat \| \| \|
		\| \| model='NASA7-Poly']. \| \| \|
		+-------------------------------------------+-------------------------------------------------------+----------+-----------+
		\| [specie0].enthalpy_of_formation \| Value of constant enthalpy of formation. [required if \| Real \| 0 \|
		\| \| specific heat model='constant']. \| \| \|
		+-------------------------------------------+-------------------------------------------------------+----------+-----------+

		Below is an example for specifying species solver model options.

		.. code-block:: none

		species.solve = O2 CO CO2 Fe2O3 FeO

		species.diffusivity = constant
		species.diffusivity.constant = 1.9e-5

		species.specific_heat = NASA7-poly

		# Oxygen
		species.O2.molecular_weight = 31.99880e-3
		species.O2.specific_heat.NASA7.a0 = 3.78245636E+00 3.66096065E+00
		species.O2.specific_heat.NASA7.a1 = -2.99673416E-03 6.56365811E-04
		species.O2.specific_heat.NASA7.a2 = 9.84730201E-06 -1.41149627E-07
		species.O2.specific_heat.NASA7.a3 = -9.68129509E-09 2.05797935E-11
		species.O2.specific_heat.NASA7.a4 = 3.24372837E-12 -1.29913436E-15
		species.O2.specific_heat.NASA7.a5 = -1.06394356E+03 -1.21597718E+03

		# Carbon monoxide
		species.CO.molecular_weight = 28.01040e-3
		species.CO.specific_heat.NASA7.a0 = 3.57953350E+00 3.04848590E+00
		species.CO.specific_heat.NASA7.a1 = -6.10353690E-04 1.35172810E-03
		species.CO.specific_heat.NASA7.a2 = 1.01681430E-06 -4.85794050E-07
		species.CO.specific_heat.NASA7.a3 = 9.07005860E-10 7.88536440E-11
		species.CO.specific_heat.NASA7.a4 = -9.04424490E-13 -4.69807460E-15
		species.CO.specific_heat.NASA7.a5 = -1.43440860E+04 -1.42661170E+04

		# Carbon dioxide
		species.CO2.molecular_weight = 44.00980e-3
		species.CO2.specific_heat.NASA7.a0 = 2.35681300E+00 4.63651110E+00
		species.CO2.specific_heat.NASA7.a1 = 8.98412990E-03 2.74145690E-03
		species.CO2.specific_heat.NASA7.a2 = -7.12206320E-06 -9.95897590E-07
		species.CO2.specific_heat.NASA7.a3 = 2.45730080E-09 1.60386660E-10
		species.CO2.specific_heat.NASA7.a4 = -1.42885480E-13 -9.16198570E-15
		species.CO2.specific_heat.NASA7.a5 = -4.83719710E+04 -4.90249040E+04

		# Hematite
		species.Fe2O3.molecular_weight = 159.68820e-3
		species.Fe2O3.specific_heat.NASA7.a0 = 1.52218166E-01 2.09445369E+01
		species.Fe2O3.specific_heat.NASA7.a1 = 6.70757040E-02 0.00000000E+00
		species.Fe2O3.specific_heat.NASA7.a2 = -1.12860954E-04 0.00000000E+00
		species.Fe2O3.specific_heat.NASA7.a3 = 9.93356662E-08 0.00000000E+00
		species.Fe2O3.specific_heat.NASA7.a4 = -3.27580975E-11 0.00000000E+00
		species.Fe2O3.specific_heat.NASA7.a5 = -1.01344092E+05 -1.07936580E+05

		# Wustite
		species.FeO.molecular_weight = 71.84440e-3
		species.FeO.specific_heat.NASA7.a0 = 3.68765953E+00 1.81588527E+00
		species.FeO.specific_heat.NASA7.a1 = 1.09133433E-02 1.70742829E-02
		species.FeO.specific_heat.NASA7.a2 = -1.61179493E-05 -2.39919190E-05
		species.FeO.specific_heat.NASA7.a3 = 1.06449256E-08 1.53690046E-08
		species.FeO.specific_heat.NASA7.a4 = -2.39514915E-12 -3.53442390E-12
		species.FeO.specific_heat.NASA7.a5 = -3.34867527E+04 -3.30239565E+04


		Fluid model settings
		--------------------

		Enabling the fluid solver and specifying fluid model options.
		The following inputs must be preceded by the given to the fluid solver e.g., "fluid."

		+------------------------------------------+----------------------------------------------------------+--------+----------+
		\| \| Description \| Type \| Default \|
		+==========================================+==========================================================+========+==========+
		\| solve \| Specify the names of the fluids or None to disable the \| String \| None \|
		\| \| fluid solver. The name assigned to the fluid solver is \| \| \|
		\| \| used to specify fluids inputs. \| \| \|
		+------------------------------------------+----------------------------------------------------------+--------+----------+
		\| molecular_weight \| Value of constant fluid molecular weight \| Real \| 0 \|
		+------------------------------------------+----------------------------------------------------------+--------+----------+
		\| viscosity \| Specify which viscosity model to use for fluid \| String \| None \|
		\| \| [required]. Available options include: \| \| \|
		\| \| \| \| \|
		\| \| * 'constant' for constant viscosity model \| \| \|
		+------------------------------------------+----------------------------------------------------------+--------+----------+
		\| viscosity.constant \| Value of constant fluid viscosity [required if \| Real \| 0 \|
		\| \| viscosity_model='constant']. \| \| \|
		+------------------------------------------+----------------------------------------------------------+--------+----------+
		\| specific_heat \| Specify which specific heat model to use for fluid \| String \| None \|
		\| \| [required if advect_enthalpy]. Available options \| \| \|
		\| \| include: \| \| \|
		\| \| \| \| \|
		\| \| * 'constant' for constant specific heat model \| \| \|
		\| \| * 'mixture' required when fluid is a mixture of species \| \| \|
		+------------------------------------------+----------------------------------------------------------+--------+----------+
		\| specific_heat.constant \| Value of constant fluid specific heat [required if \| Real \| 0 \|
		\| \| specific_heat_model='constant']. \| \| \|
		+------------------------------------------+----------------------------------------------------------+--------+----------+
		\| thermal_conductivity \| Specify which thermal conductivity model to use for \| String \| None \|
		\| \| fluid [required if advect_enthalpy=1]. available \| \| \|
		\| \| options include: \| \| \|
		\| \| \| \| \|
		\| \| * 'constant' for constant thermal conductivity model \| \| \|
		+------------------------------------------+----------------------------------------------------------+--------+----------+
		\| thermal_conductivity.constant \| Value of constant fluid thermal conductivity [required \| Real \| 0 \|
		\| \| if thermal_conductivity_model='constant']. \| \| \|
		+------------------------------------------+----------------------------------------------------------+--------+----------+
		\| thermodynamic_pressure \| Value of the thermodynamic pressure [required if the \| Real \| 0 \|
		\| \| constraint type is IdealGasClosedSystem] \| \| \|
		+------------------------------------------+----------------------------------------------------------+--------+----------+
		\| reference_temperature \| Value of the reference temperature used for specific \| Real \| 0 \|
		\| \| enthalpy \| Real \| 0 \|
		+------------------------------------------+----------------------------------------------------------+--------+----------+
		\| species \| Specify which species can constitute the fluid phase \| String \| None \|
		\| \| [defined species must be a subset of the species.solve \| \| \|
		\| \| arguments] \| \| \|
		+------------------------------------------+----------------------------------------------------------+--------+----------+
		\| newton_solver.absolute_tol \| Define absolute tolerance for Damped-Newton solver \| Real \| 1.e-8 \|
		+------------------------------------------+----------------------------------------------------------+--------+----------+
		\| newton_solver.relative_tol \| Define relative tolerance for Damped-Newton solver \| Real \| 1.e-8 \|
		+------------------------------------------+----------------------------------------------------------+--------+----------+
		\| newton_solver.max_iterations \| Define max number of iterations for Damped-Newton solver \| int \| 500 \|
		+------------------------------------------+----------------------------------------------------------+--------+----------+

		Below is an example for specifying fluid solver model options.

		.. code-block:: none

		fluid.solve = my_fluid

		fluid.viscosity = constant
		fluid.viscosity.constant = 1.8e-5

		fluid.reference_temperature = 298.15

		fluid.thermal_conductivity = constant
		fluid.thermal_conductivity.constant = 0.024

		fluid.specific_heat = mixture

		fluid.species = O2 CO CO2


		Solids model settings
		---------------------

		Enabling the SOLIDS solver and specifying options common to both DEM and PIC
		models. The following inputs must be preceded by the "solids." root

		+------------------------------------------+-------------------------------------------------------------+----------+----------+
		\| \| Description \| Type \| Default \|
		+==========================================+=============================================================+==========+==========+
		\| types \| Specified name(s) of the SOLIDS types or None to disable \| String \| None \|
		\| \| the SOLIDS solver. The user defined names are used to \| \| \|
		\| \| specify DEM and/or PIC model inputs. \| \| \|
		+------------------------------------------+-------------------------------------------------------------+----------+----------+
		\| molecular_weight \| Value of constant solid molecular \| Real \| 0 \|
		\| \| weight \| \| \|
		+------------------------------------------+-------------------------------------------------------------+----------+----------+
		\| specific_heat \| Specify which specific heat model to \| String \| None \|
		\| \| use for solid. Available options \| \| \|
		\| \| include: \| \| \|
		\| \| \| \| \|
		\| \| * 'constant' for constant specific heat \| \| \|
		\| \| model \| \| \|
		+------------------------------------------+-------------------------------------------------------------+----------+----------+
		\| specific_heat.constant \| Value of species molecular weight. \| Real \| 0 \|
		\| \| [required if fluid.specific_heat = \| \| \|
		\| \| 'constant']. \| \| \|
		+------------------------------------------+-------------------------------------------------------------+----------+----------+
		\| reference_temperature \| Value of the reference temperature used \| Real \| 0 \|
		\| \| for specific enthalpy \| \| \|
		+------------------------------------------+-------------------------------------------------------------+----------+----------+
		\| species \| Specify which species can constitute \| String \| None \|
		\| \| the fluid phase [defined species must \| \| \|
		\| \| be a subset of the species.solve \| \| \|
		\| \| arguments]. \| \| \|
		+------------------------------------------+-------------------------------------------------------------+----------+----------+
		\| newton_solver.absolute_tol \| Define absolute tolerance for Damped-Newton solver \| Real \| 1.e-6 \|
		+------------------------------------------+-------------------------------------------------------------+----------+----------+
		\| newton_solver.relative_tol \| Define relative tolerance for Damped-Newton solver \| Real \| 1.e-6 \|
		+------------------------------------------+-------------------------------------------------------------+----------+----------+
		\| newton_solver.max_iterations \| Define max number of iterations for Damped-Newton solver \| int \| 100 \|
		+------------------------------------------+-------------------------------------------------------------+----------+----------+

		Below is an example for specifying the solids solver model options.

		.. code-block:: none

		solids.types = my_solid0 my_solid1

		solids.reference_temperature = 298.15

		solids.specific_heat = mixture

		solids.species = Fe2O3 FeO


		Chemical Reactions model settings
		---------------------------------

		Enabling the Chemical Reactions solver and specifying model options.

		+-------------------------+----------------------------------------------------------------------+----------+-----------+
		\| \| Description \| Type \| Default \|
		+=========================+======================================================================+==========+===========+
		\| chemistry.solve \| Specified name(s) of the chemical reactions types or None to disable \| String \| None \|
		\| \| the reactions solver. \| \| \|
		+-------------------------+----------------------------------------------------------------------+----------+-----------+

		The following inputs must be preceded by the "chemistry." prefix

		+------------------------+---------------------------------------------------------+----------+-----------+
		\| \| Description \| Type \| Default \|
		+========================+=========================================================+==========+===========+
		\| [reaction0].reaction \| Chemical formula for the given reaction. The string \| String \| None \|
		\| \| given as input must not contain white spaces and \| \| \|
		\| \| the reaction direction has to be specified as '-->' \| \| \|
		\| \| or '<--'. Chemical species phases must be defined as \| \| \|
		\| \| '(g)' for the fluid phase or '(s)' for the solid phase. \| \| \|
		+------------------------+---------------------------------------------------------+----------+-----------+

		.. code-block:: none

		chemistry.solve = my_reaction0 my_reaction1

		my_reaction0.reaction = Fe2O3(s)+CO(g)-->2.FeO(s)+CO2(g)
		my_reaction1.reaction = FeO(s)+0.25O2(g)-->0.5Fe2O3(s)


		DEM model settings
		------------------

		Enabling the DEM solver and specifying model options.

		+-------------------------+-------------------------------------------------------------------------+----------+-----------+
		\| \| Description \| Type \| Default \|
		+=========================+=========================================================================+==========+===========+
		\| dem.solve \| Specified name(s) of the DEM types or None to disable the DEM solver. \| String \| None \|
		\| \| The user defined names are used to specify DEM model inputs. \| \| \|
		+-------------------------+-------------------------------------------------------------------------+----------+-----------+
		\| dem.friction_coeff.pp \| Friction coefficient :: particle to particle collisions [required] \| Real \| 0 \|
		+-------------------------+-------------------------------------------------------------------------+----------+-----------+
		\| dem.friction_coeff.pw \| Friction coefficient :: particle to wall collisions [required] \| Real \| 0 \|
		+-------------------------+-------------------------------------------------------------------------+----------+-----------+
		\| dem.spring_const.pp \| Normal spring constant :: particle to particle collisions [required] \| Real \| 0 \|
		+-------------------------+-------------------------------------------------------------------------+----------+-----------+
		\| dem.spring_const.pw \| Normal spring constant :: particle to wall collisions [required] \| Real \| 0 \|
		+-------------------------+-------------------------------------------------------------------------+----------+-----------+
		\| dem.spring_tang_fac.pp \| Tangential-to-normal spring constant factor :: particle to particle \| Real \| 0 \|
		\| \| collisions [required] \| \| \|
		+-------------------------+-------------------------------------------------------------------------+----------+-----------+
		\| dem.spring_tang_fac.pw \| Tangential-to-normal spring constant factor :: particle to wall \| Real \| 0 \|
		\| \| collisions [required] \| \| \|
		+-------------------------+-------------------------------------------------------------------------+----------+-----------+
		\| dem.damping_tang_fac.pp \| Factor relating the tangential damping coefficient to the normal \| Real \| 0 \|
		\| \| damping coefficient :: particle to particle collisions [required] \| \| \|
		+-------------------------+-------------------------------------------------------------------------+----------+-----------+
		\| dem.damping_tang_fac.pw \| Factor relating the tangential damping coefficient to the normal \| Real \| 0 \|
		\| \| damping coefficient :: particle to wall collisions [required] \| \| \|
		+-------------------------+-------------------------------------------------------------------------+----------+-----------+

		The following inputs use the DEM type names specified using the `dem.solve` input to define restitution coefficients and
		are proceeded with `dem.restitution_coeff`. These must be defined for all solid-solid and solid-wall combinations.

		+-------------------------+-------------------------------------------------------------------------+----------+-----------+
		\| \| Description \| Type \| Default \|
		+=========================+=========================================================================+==========+===========+
		\| [solid0].[solid1] \| Specifies the restitution coefficient between solid0 and solid1. Here \| Real \| 0 \|
		\| \| the order is not important and could be defined as [solid1].[solid0] \| \| \|
		+-------------------------+-------------------------------------------------------------------------+----------+-----------+
		\| [solid0].wall \| Specifies the restitution coefficient between solid0 and the wall. \| Real \| 0 \|
		\| \| Order is not important and this could be defined as wall.[solid0] \| \| \|
		+-------------------------+-------------------------------------------------------------------------+----------+-----------+

		Below is an example for specifying the inputs for two DEM solids.

		.. code-block:: none

		dem.solve = sand char

		dem.friction_coeff.pp = 0.25
		dem.friction_coeff.pw = 0.15

		dem.spring_const.pp = 100.0
		dem.spring_const.pw = 100.0

		dem.spring_tang_fac.pp = 0.2857
		dem.spring_tang_fac.pw = 0.2857

		dem.damping_tang_fac.pp = 0.5
		dem.damping_tang_fac.pw = 0.5

		dem.restitution_coeff.sand.sand = 0.85
		dem.restitution_coeff.sand.char = 0.88
		dem.restitution_coeff.char.char = 0.90

		dem.restitution_coeff.sand.wall = 0.85
		dem.restitution_coeff.char.wall = 0.89


		Region definitions
		------------------

		Regions are used to define sections of the domain. They may be either boxes, planes or points. They are used in building initial condition regions.

		+---------------------+-----------------------------------------------------------------------+-------------+-----------+
		\| \| Description \| Type \| Default \|
		+=====================+=======================================================================+=============+===========+
		\| mfix.regions \| Names given to regions. \| String \| None \|
		+---------------------+-----------------------------------------------------------------------+-------------+-----------+
		\| regions.[region].lo \| Low corner of physical region (physical, not index space) \| Reals \| 0 0 0 \|
		+---------------------+-----------------------------------------------------------------------+-------------+-----------+
		\| regions.[region].hi \| High corner of physical region (physical, not index space) \| Reals \| 0 0 0 \|
		+---------------------+-----------------------------------------------------------------------+-------------+-----------+

		Below is an example for specifying two regions.

		.. code-block:: none

		mfix.regions = full-domain riser

		regions.full-domain.lo = 0.0000 0.0000 0.0000
		regions.full-domain.hi = 3.7584 0.2784 0.2784

		regions.riser.lo = 0.0000 0.0000 0.0000
		regions.riser.hi = 0.1000 0.2784 0.2784



		Initial Conditions
		------------------

		Initial conditions are built from defined regions. The input names are built using the prefix `ic.`, the name of the
		region to apply the IC, and the name of the phase (e.g., `myfluid`). The
		following inputs must be preceded by the root `ic.`.

		+-----------------------+------------------------------------------------------------------------+-------------+-----------+
		\| \| Description \| Type \| Default \|
		+=======================+========================================================================+=============+===========+
		\| regions \| Regions used to define initial conditions. \| String \| None \|
		+-----------------------+------------------------------------------------------------------------+-------------+-----------+
		\| allow_regions_overlap \| Flag for allowing the user to decide whether particles will be \| Bool \| 1 (yes) \|
		\| \| generated/initialized more than once on the areas where the IC regions \| \| \|
		\| \| have an intersection \| \| \|
		+-----------------------+------------------------------------------------------------------------+-------------+-----------+
		\| ranking_type \| IC regions are sorted during initialization. This input lets the user \| String \| Inputs \|
		\| \| decide the ranking criterion, which can be one of the following: \| \| \|
		\| \| \| \| \|
		\| \| * inputs -- the order in the inputs file \| \| \|
		\| \| * volume -- the volume of each IC region \| \| \|
		\| \| * priority -- the priority value provided by the user in the inputs \| \| \|
		+-----------------------+------------------------------------------------------------------------+-------------+-----------+

		For a fluid phase, the following inputs can be defined.

		+------------------------+------------------------------------------------------------------------+-------------+-----------+
		\| \| Description \| Type \| Default \|
		+========================+========================================================================+=============+===========+
		\| volfrac \| Volume fraction [required] \| Real \| 0 \|
		+------------------------+------------------------------------------------------------------------+-------------+-----------+
		\| density \| Fluid density \| Real \| 0 \|
		+------------------------+------------------------------------------------------------------------+-------------+-----------+
		\| temperature \| Fluid temperature \| Real \| 0 \|
		+------------------------+------------------------------------------------------------------------+-------------+-----------+
		\| velocity \| Velocity components \| Reals \| 0 0 0 \|
		+------------------------+------------------------------------------------------------------------+-------------+-----------+
		\| species.[species0] \| Species 'species0' mass fraction \| Reals \| 0 0 0 \|
		+------------------------+------------------------------------------------------------------------+-------------+-----------+


		The name of the DEM phases to be defined in the IC region and the packing must be defined.

		+----------------------+------------------------------------------------------------------+-------------+-----------+
		\| \| Description \| Type \| Default \|
		+======================+==================================================================+=============+===========+
		\| ic.[region].solids \| Solids type in this IC region (only one type per region allowed) \| String \| None \|
		+----------------------+------------------------------------------------------------------+-------------+-----------+
		\| ic.[region].priority \| Priority value for IC regions ranking as described above \| Int \| Max \|
		+----------------------+------------------------------------------------------------------+-------------+-----------+
		\| ic.[region].packing \| Specifies how auto-generated particles are placed in the IC \| String \| None \|
		\| \| region: \| \| \|
		\| \| \| \| \|
		\| \| * hcp -- hex-centered packing \| \| \|
		\| \| * random -- random packing \| \| \|
		\| \| * pseudo_random \| \| \|
		\| \| * oneper -- one particle per cell \| \| \|
		\| \| * eightper -- eight particles per cell \| \| \|
		\| \| * n-cube -- n^3 particles per cell where n is an integer \| \| \|
		\| \| \| \| \|
		\| \| (NOTE: oneper is equivalent to 1-cube and eightper to 2-cube) \| \| \|
		+----------------------+------------------------------------------------------------------+-------------+-----------+

		For each solid, the following inputs may be defined.

		+---------------------+-----------------------------------------------------------------------+-------------+-----------+
		\| \| Description \| Type \| Default \|
		+=====================+=======================================================================+=============+===========+
		\| volfrac \| Volume fraction \| Real \| 0 \|
		+---------------------+-----------------------------------------------------------------------+-------------+-----------+
		\| temperature \| Fluid temperature \| Real \| 0 \|
		+---------------------+-----------------------------------------------------------------------+-------------+-----------+
		\| species.[species0] \| Species 'species0' mass fraction \| Real \| 0 \|
		+---------------------+-----------------------------------------------------------------------+-------------+-----------+
		\| velocity \| Velocity components \| Reals \| 0 0 0 \|
		+---------------------+-----------------------------------------------------------------------+-------------+-----------+
		\| diameter \| Method to specify particle diameter in the IC region. This is \| String \| None \|
		\| \| only used for auto-generated particles. Available options include: \| \| \|
		\| \| \| \| \|
		\| \| * 'constant' -- specified constant \| \| \|
		\| \| * 'uniform' -- uniform distribution \| \| \|
		\| \| * 'normal' -- normal distribution \| \| \|
		+---------------------+-----------------------------------------------------------------------+-------------+-----------+
		\| diameter.constant \| Value of specified constant particle density \| Real \| 0 \|
		+---------------------+-----------------------------------------------------------------------+-------------+-----------+
		\| diameter.mean \| Distribution mean \| Real \| 0 \|
		+---------------------+-----------------------------------------------------------------------+-------------+-----------+
		\| diameter.std \| Distribution standard deviation \| Real \| 0 \|
		+---------------------+-----------------------------------------------------------------------+-------------+-----------+
		\| diameter.min \| Minimum diameter to clip distribution \| Real \| 0 \|
		+---------------------+-----------------------------------------------------------------------+-------------+-----------+
		\| diameter.max \| Maximum diameter to clip distribution \| Real \| 0 \|
		+---------------------+-----------------------------------------------------------------------+-------------+-----------+
		\| density \| Method to specify particle density in the IC region. This is \| String \| None \|
		\| \| only used for auto-generated particles. Available options include: \| \| \|
		\| \| \| \| \|
		\| \| * 'constant' -- specified constant \| \| \|
		\| \| * 'uniform' -- uniform distribution \| \| \|
		\| \| * 'normal' -- normal distribution \| \| \|
		+---------------------+-----------------------------------------------------------------------+-------------+-----------+
		\| density.constant \| Value of specified constant particle density \| Real \| 0 \|
		+---------------------+-----------------------------------------------------------------------+-------------+-----------+
		\| density.mean \| Distribution mean \| Real \| 0 \|
		+---------------------+-----------------------------------------------------------------------+-------------+-----------+
		\| density.std \| Distribution standard deviation \| Real \| 0 \|
		+---------------------+-----------------------------------------------------------------------+-------------+-----------+
		\| density.min \| Minimum density to clip distribution \| Real \| 0 \|
		+---------------------+-----------------------------------------------------------------------+-------------+-----------+
		\| density.max \| Maximum density to clip distribution \| Real \| 0 \|
		+---------------------+-----------------------------------------------------------------------+-------------+-----------+


		Below is an example for specifying an initial condition for a fluid (fluid) and one DEM solid (solid0).

		.. code-block:: none

		ic.regions = bed0 bed1

		ic.bed0.my_fluid.volfrac = 0.725
		ic.bed0.my_fluid.density = 1.0
		ic.bed0.my_fluid.velocity = 0.015 0.00 0.00
		ic.bed0.my_fluid.temperature = 383.0
		ic.bed0.my_fluid.species.CO = 0.3
		ic.bed0.my_fluid.species.CO2 = 0.2
		ic.bed0.my_fluid.species.O2 = 0.5

		ic.bed0.solids = my_solid0
		ic.bed0.packing = pseudo_random

		ic.bed0.my_solid0.volfrac = 0.275
		ic.bed0.my_solid0.temperature = 400.0
		ic.bed0.my_solid0.species.Fe2O3 = 0.4
		ic.bed0.my_solid0.species.FeO = 0.6

		ic.bed0.my_solid0.velocity = 0.00 0.00 0.00

		ic.bed0.my_solid0.diameter = constant
		ic.bed0.my_solid0.diameter.constant = 100.0e-6

		ic.bed0.my_solid0.density = constant
		ic.bed0.my_solid0.density.constant = 1000.0

		ic.bed1.my_fluid.volfrac = 0.925
		ic.bed1.my_fluid.density = 1.0
		ic.bed1.my_fluid.velocity = 0.015 0.00 0.00
		ic.bed1.my_fluid.temperature = 383.0
		ic.bed1.my_fluid.species.CO = 0.5
		ic.bed1.my_fluid.species.CO2 = 0.5
		ic.bed1.my_fluid.species.O2 = 0.0

		ic.bed1.solids = my_solid1
		ic.bed1.packing = pseudo_random

		ic.bed1.my_solid1.volfrac = 0.075
		ic.bed1.my_solid1.temperature = 450.0
		ic.bed1.my_solid1.species.Fe2O3 = 0.0
		ic.bed1.my_solid1.species.FeO = 1.0

		ic.bed1.my_solid1.velocity = 0.10 0.00 0.00

		ic.bed1.my_solid1.diameter = constant
		ic.bed1.my_solid1.diameter.constant = 110.0e-6

		ic.bed1.my_solid1.density = constant
		ic.bed1.my_solid1.density.constant = 900.0


		Boundary Conditions
		-------------------

		Boundary conditions are built from defined regions. The input names are built using the prefix `bc.`, the name of the
		region to apply the BC, and the name of the phase (e.g., `myfluid`).

		+---------------------+-----------------------------------------------------------------------+-------------+-----------+
		\| \| Description \| Type \| Default \|
		+=====================+=======================================================================+=============+===========+
		\| bc.regions \| Regions used to define boundary conditions. \| String \| None \|
		+---------------------+-----------------------------------------------------------------------+-------------+-----------+

		The type of the boundary conditions in the BC region must be defined.

		+---------------------+-----------------------------------------------------------------------+-------------+-----------+
		\| \| Description \| Type \| Default \|
		+=====================+=======================================================================+=============+===========+
		\| bc.[region] \| Used to define boundary condition type. Available options include: \| String \| None \|
		\| \| \| \| \|
		\| \| * 'pi' for pressure inflow BC type \| \| \|
		\| \| * 'po' for pressure outflow BC type \| \| \|
		\| \| * 'mi' for mass inflow BC type \| \| \|
		\| \| * 'nsw' for no-slip wall BC type \| \| \|
		\| \| * 'eb' for inhomogeneous Dirichlet BCs of temperature or fluid \| \| \|
		\| \| velocity (mass inflow) on the contained EBs \| \| \|
		+---------------------+-----------------------------------------------------------------------+-------------+-----------+
		\| bc.po_no_par_out \| Let particles exit (default) or bounce-back at pressure outflows \| Int \| 0 \|
		+---------------------+-----------------------------------------------------------------------+-------------+-----------+

		For a fluid phase, the following inputs can be defined.

		+------------------------+------------------------------------------------------------------------+-------------+-----------+
		\| \| Description \| Type \| Default \|
		+========================+========================================================================+=============+===========+
		\| volfrac \| Volume fraction [required if bc_region_type='mi'] \| Real \| 0 \|
		+------------------------+------------------------------------------------------------------------+-------------+-----------+
		\| density \| Fluid density [required if bc_region_type='mi' or 'pi'] \| Real \| 0 \|
		+------------------------+------------------------------------------------------------------------+-------------+-----------+
		\| pressure \| Fluid pressure [required if bc_region_type='po' or 'pi'] \| Real \| 0 \|
		+------------------------+------------------------------------------------------------------------+-------------+-----------+
		\| temperature \| Fluid temperature [required if bc_region_type='mi' or 'pi'] \| Real \| 0 \|
		+------------------------+------------------------------------------------------------------------+-------------+-----------+
		\| velocity \| Velocity components [required if bc_region_type='mi'] \| Reals \| 0 0 0 \|
		+------------------------+------------------------------------------------------------------------+-------------+-----------+
		\| delp_dir \| Direction for specified pressure drop. Note that this direction \| Int \| 0 \|
		\| \| should also be periodic. \| \| \|
		+------------------------+------------------------------------------------------------------------+-------------+-----------+
		\| delp \| Pressure drop (Pa) \| Real \| 0 \|
		+------------------------+------------------------------------------------------------------------+-------------+-----------+
		\| species.[species0] \| Species 'species0' mass fraction [required if solve_species=1 \| Real \| 0 \|
		\| \| and bc_region_type='mi' or 'pi']. \| \| \|
		+------------------------+------------------------------------------------------------------------+-------------+-----------+

		Below is an example for specifying boundary conditions for a fluid `myfluid`.

		.. code-block:: none

		bc.regions = inflow outflow

		bc.inflow = mi
		bc.inflow.my_fluid.volfrac = 1.0
		bc.inflow.my_fluid.density = 1.0
		bc.inflow.my_fluid.velocity = 0.015 0.0 0.0
		bc.inflow.my_fluid.temperature = 300
		bc.inflow.my_fluid.species.O2 = 0.0
		bc.inflow.my_fluid.species.CO = 0.5
		bc.inflow.my_fluid.species.CO2 = 0.5

		bc.outflow = po
		bc.outflow.myfluid.pressure = 0.0
		# In case of Ideal Gas EOS with Open System constraint
		# the thermodynamic pressure at outflow is required
		bc.outflow.thermodynamic_pressure = 356318.21


		Transient Boundary Conditions
		-----------------------------

		Velocity, temperature, and pressure boundary conditions may also be specified as a
		function of time simply by adding a new column. The time value is entered in the
		new first column. We can make the `mi` boundary condition above time-dependent
		by replacing:

		.. code-block:: none

		bc.inflow.my_fluid.velocity = 0.0 0.0 0.0 0.0
		bc.inflow.my_fluid.velocity = 3.0 0.015 0.0 0.0
		bc.inflow.my_fluid.temperature = 0.0 300
		bc.inflow.my_fluid.temperature = 2.99 300
		bc.inflow.my_fluid.temperature = 3.0 500
		bc.inflow.my_fluid.temperature = 4.0 500
		bc.inflow.my_fluid.temperature = 4.01 300

		In the above example, the inflow velocity is accelerated from zero to its
		final value over a period of three seconds. Linear interpolation is used in
		between discrete time values and held constant at the last time value. The
		temperature sees an abrupt spike from 300 up to 500 at t = 3s and then back
		down again after 4s. Note that the timestep is not adjusted to sync with
		transient BCs.


		Boundary Conditions on Embedded Boundaries
		------------------------------------------

		In MFIX-Exa it is possible to set boundary conditions on the embedded
		boundaries. For instance, it is possible to set inhomogeneous Dirichlet boundary
		conditions for the fluid temperature variable on the subpart of the embedded
		boundaries which is contained in the BC region (which in this case has to be
		tridimensional). We recall that, on the remaining part of the EBs, homogeneous
		Neumann boundary conditions are assumed by default.

		In the following table there is a list of the possible entries for EB boundary
		conditions. Each entry must be preceded by `bc.[region0].`

		+---------------------+-----------------------------------------------------------------------+-------------+-----------+
		\| \| Description \| Type \| Default \|
		+=====================+=======================================================================+=============+===========+
		\| eb.temperature \| Inhomogeneous Dirichlet BC value for temperature on EBs contained in \| Real \| 0.0 \|
		\| \| the (tridimensional) region [required if advect_enthalpy=1 and \| \| \|
		\| \| bc_region_type='eb']. \| \| \|
		+---------------------+-----------------------------------------------------------------------+-------------+-----------+

		Below is an example for specifying boundary conditions for a fluid `myfluid`.

		.. code-block:: none

		bc.regions = hot-wall

		bc.hot-walls = eb
		bc.hot-walls.eb.temperature = 800

		In addition to the temperature, it is possible to set an inflow condition for fluid
		on an embedeed boundary. We recall that, on the remaining part of the EBs,
		no slip velocity conditions are assumed by default.

		In the following table there is a list of the possible entries for inflow EB boundary
		conditions. Each entry must be preceded by `bc.[region0].` Like traditional mass
		inflows, the fluid temperature, pressure, and species composition must be
		provided when appropriate.

		+---------------------+-----------------------------------------------------------------------+-------------+-----------+
		\| \| Description \| Type \| Default \|
		+=====================+=======================================================================+=============+===========+
		\| fluid.velocity \| (Required if not `volflow`) Inflow fluid velocity on EB faces \| Reals \| 0 0 0 \|
		\| \| contained in the (tridimensional) region. \| \| \|
		\| \| Note that if only one value is specified, that is assumed to \| \| \|
		\| \| be the magnitude in the direction of the EB face's normal. \| \| \|
		+---------------------+-----------------------------------------------------------------------+-------------+-----------+
		\| fluid.volflow \| (Required if not `velocity`) Inflow BC for fluid volumetric flow \| Real \| 0 \|
		\| \| rate in the (tridimensional) region. The flow is assumed to be \| \| \|
		\| \| normal to the EB surface in the region. \| \| \|
		+---------------------+-----------------------------------------------------------------------+-------------+-----------+
		\| fluid.volfrac \| (Required) Volume fraction. \| Real \| 0 \|
		+---------------------+-----------------------------------------------------------------------+-------------+-----------+
		\| eb.normal \| (Optional) When specified, only cells with EB face normal that is \| Reals \| 0 0 0 \|
		\| \| parallel and opposite in direction to the specified values \| \| \|
		\| \| are imposed with the inflow velocity. \| \| \|
		+---------------------+-----------------------------------------------------------------------+-------------+-----------+
		\| eb.normal_tol \| (Optional) Used in conjunction with `eb.normal`. It determines the \| Real \| 0 \|
		\| \| tolerance (in degrees) for choosing cells with a specific normal. \| \| \|
		+---------------------+-----------------------------------------------------------------------+-------------+-----------+

		Below is an example for specifying a normal inflow velocity magnitude for a region `eb-flow`.

		.. code-block:: none

		bc.regions = eb-flow

		bc.eb-flow = eb

		bc.eb-flow.my_fluid.volfrac = 1.0
		bc.eb-flow.my_fluid.velocity = 0.1

		Below is an example where only specific cells are imposed a velocity in the x-direction.

		.. code-block:: none

		bc.regions = eb-flow

		bc.eb-flow = eb

		bc.eb-flow.eb.normal_tol = 3.0
		bc.eb-flow.eb.normal = 0.9848 0.0000 0.1736 # 10 deg

		bc.eb-flow.my_fluid.volfrac = 1.0
		bc.eb-flow.my_fluid.velocity = 0.1 0.0 0.0


		Constraints
		-----------

		Additional constraints may be imposed on problems which are under-determined by IBCs,
		typically occurring in periodic domains. Currently, only particle constraints are supported.
		The prefix `particles.` should be applied to all input keywords listed below.

		+---------------------+-----------------------------------------------------------------------+-------------+-----------+
		\| \| Description \| Type \| Default \|
		+=====================+=======================================================================+=============+===========+
		\| constraint \| Constraint type. Available options include: \| String \| None \|
		\| \| \| \| \|
		\| \| * 'mean_velocity' \| \| \|
		\| \| \| \| \|
		+---------------------+-----------------------------------------------------------------------+-------------+-----------+

		For the `mean_velocity` constraint, the following inputs can be defined.

		+------------------------+------------------------------------------------------------------------+-------------+-----------+
		\| \| Description \| Type \| Default \|
		+========================+========================================================================+=============+===========+
		\| mean_velocity_x \| mean particle velocity in dir=0 \| Real \| Undefined \|
		+------------------------+------------------------------------------------------------------------+-------------+-----------+
		\| mean_velocity_y \| mean particle velocity in dir=1 \| Real \| Undefined \|
		+------------------------+------------------------------------------------------------------------+-------------+-----------+
		\| mean_velocity_z \| mean particle velocity in dir=2 \| Real \| Undefined \|
		+------------------------+------------------------------------------------------------------------+-------------+-----------+

		Below is an example for zero mean particle velocity in all three directions.

		.. code-block:: none

		particles.constraint = "mean_velocity"

		particles.constraint.mean_velocity_x = 0.
		particles.constraint.mean_velocity_y = 0.
		particles.constraint.mean_velocity_z = 0.

docs/source_docs/user_guide/run-time_inputs.rst

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Changes for docs/source_docs/user_guide/run-time_inputs.rst: 1 added line, 1 removed line.
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		@@ -56,4 +56,4 @@ keywords such as ``mfix``, ``amr``, ``geometry``, ``nodal_proj`` etc.
		inputs/boundary_conditions
		inputs/output
		inputs/advanced
		inputs/InputsProblemDefinition

remove old Problem Definition page

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