Changes between Version 30 and Version 31 of doc/app/chemistry_parameters

Timestamp:

Oct 12, 2018 11:38:28 AM (7 years ago)

Author:

forkel

Comment:

--

doc/app/chemistry_parameters

@@ -333 +333 @@
 }}}
 {{{#!td style="vertical-align:top; width: 50px"
-XXX
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-{{{#!td style="vertical-align:top; width: 75px"
-YYY
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-{{{#!td
-ZZZ
+I(20)
+}}}
+{{{#!td style="vertical-align:top; width: 75px"
+0
+}}}
+{{{#!td
+Selection and steering of the chemistry solver. 
+
+Note: For input parameters equal to zero the default values of the corresponding variables are used.\\
+
+    ICNTRL(1) = 1: F = F(y)   Independent of T (AUTONOMOUS), = 0: F = F(t,y) Depends on T (NON-AUTONOMOUS)
+
+    ICNTRL(2) = 0: AbsTol,RelTol are N-dimensional vectors, = 1: AbsTol,RelTol are scalars
+
+    ICNTRL(3)  -> selection of a particular Rosenbrock method
+         0 :    Rodas3 (default)
+         1 :    Ros2
+         2 :    Ros3
+         3 :    Ros4
+         4 :    Rodas3
+         5 :    Rodas4
+
+    ICNTRL(4)  -> maximum number of integration steps; For ICNTRL(4) =0) the default value of 100000 is used
+
+See http://people.cs.vt.edu/asandu/Software/Kpp/
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@@ -424 +442 @@
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+R(20)
+}}}
+{{{#!td style="vertical-align:top; width: 75px"
+0.0 and see below
+}}}
+{{{#!td
+Steering of the chemistry solver.
+
+RCNTRL(1)  -> Hmin,lower bound for the integration step size. It is strongly recommended to keep Hmin = ZERO
+
+RCNTRL(2)  -> Hmax,upper bound for the integration step size
+
+RCNTRL(3)  -> Hstart,starting value for the integration step size
+
+RCNTRL(4)  -> FacMin,lower bound on step decrease factor (default=0.2); RCNTRL(5)  -> FacMax,upper bound on step increase factor (default=6); RCNTRL(6)  -> FacRej,step decrease factor after multiple rejections
+
+RCNTRL(7)  -> FacSafe,by which the new step is slightly smaller than the predicted value  (default=0.9)
+
+See http://people.cs.vt.edu/asandu/Software/Kpp/
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@@ -476 +506 @@
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+C*11(99)
+}}}
+{{{#!td style="vertical-align:top; width: 75px"
+'novalue'
+
+}}}
+{{{#!td
+Names of chemical species which are emitted. Required only for  [#mode_emis mode_emis]  = 'PARAMETERIZED',.
+Example:\\
+surface_csflux_name           = 'NO', 'NO2',  'CO', 'RCHO', 'PM10', 'PM25',\\
+It is not necessary to specify surface_csflux_name for all compounds of the chosen chemical mechanism.
+Names of compounds which do not occur in the mechanism are ignored.
 }}}
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