diff --git a/input/kinetics/families/Birad_R_Recombination/groups.py b/input/kinetics/families/Birad_R_Recombination/groups.py index 10073461f9..ed2e82e8d4 100644 --- a/input/kinetics/families/Birad_R_Recombination/groups.py +++ b/input/kinetics/families/Birad_R_Recombination/groups.py @@ -24,6 +24,7 @@ label = "Y_rad", group = """ +multiplicity [2] 1 *1 R u1 """, kinetics = None, @@ -34,6 +35,7 @@ label = "Birad", group = """ +multiplicity [3] 1 *2 R!H u2 """, kinetics = None, @@ -44,6 +46,7 @@ label = "H_rad", group = """ +multiplicity [2] 1 *1 H u1 """, kinetics = None, @@ -54,6 +57,7 @@ label = "Ct_rad", group = """ +multiplicity [2] 1 *1 C u1 {2,T} 2 C u0 {1,T} """, @@ -65,6 +69,7 @@ label = "O_rad", group = """ +multiplicity [2] 1 *1 O u1 {2,S} 2 R u0 {1,S} """, @@ -76,6 +81,7 @@ label = "O_pri_rad", group = """ +multiplicity [2] 1 *1 O u1 {2,S} 2 H u0 {1,S} """, @@ -87,6 +93,7 @@ label = "O_sec_rad", group = """ +multiplicity [2] 1 *1 O u1 {2,S} 2 R!H u0 {1,S} """, @@ -98,6 +105,7 @@ label = "O_rad/NonDe", group = """ +multiplicity [2] 1 *1 O u1 {2,S} 2 [Cs,O,S] u0 {1,S} """, @@ -109,6 +117,7 @@ label = "O_rad/OneDe", group = """ +multiplicity [2] 1 *1 O u1 {2,S} 2 [Cd,Ct,Cb,CO,CS] u0 {1,S} """, @@ -120,6 +129,7 @@ label = "S_rad", group = """ +multiplicity [2] 1 *1 S u1 {2,S} 2 R u0 {1,S} """, @@ -131,6 +141,7 @@ label = "S_pri_rad", group = """ +multiplicity [2] 1 *1 S u1 {2,S} 2 H u0 {1,S} """, @@ -142,6 +153,7 @@ label = "S_sec_rad", group = """ +multiplicity [2] 1 *1 S u1 {2,S} 2 R!H u0 {1,S} """, @@ -153,6 +165,7 @@ label = "S_rad/NonDe", group = """ +multiplicity [2] 1 *1 S u1 {2,S} 2 [Cs,O,S] u0 {1,S} """, @@ -164,6 +177,7 @@ label = "S_rad/OneDe", group = """ +multiplicity [2] 1 *1 S u1 {2,S} 2 [Cd,Ct,Cb,CO,CS] u0 {1,S} """, @@ -175,6 +189,7 @@ label = "Cd_rad", group = """ +multiplicity [2] 1 *1 C u1 {2,D} {3,S} 2 C u0 {1,D} 3 R u0 {1,S} @@ -187,6 +202,7 @@ label = "Cd_pri_rad", group = """ +multiplicity [2] 1 *1 C u1 {2,D} {3,S} 2 C u0 {1,D} 3 H u0 {1,S} @@ -199,6 +215,7 @@ label = "Cd_sec_rad", group = """ +multiplicity [2] 1 *1 C u1 {2,D} {3,S} 2 C u0 {1,D} 3 R!H u0 {1,S} @@ -211,6 +228,7 @@ label = "Cd_rad/NonDe", group = """ +multiplicity [2] 1 *1 C u1 {2,D} {3,S} 2 C u0 {1,D} 3 [Cs,O,S] u0 {1,S} @@ -223,6 +241,7 @@ label = "Cd_rad/OneDe", group = """ +multiplicity [2] 1 *1 C u1 {2,D} {3,S} 2 C u0 {1,D} 3 [Cd,Ct,Cb,CO,CS] u0 {1,S} @@ -235,6 +254,7 @@ label = "Cb_rad", group = """ +multiplicity [2] 1 *1 Cb u1 {2,B} {3,B} 2 [Cb,Cbf] u0 {1,B} 3 [Cb,Cbf] u0 {1,B} @@ -247,6 +267,7 @@ label = "CO_rad", group = """ +multiplicity [2] 1 *1 C u1 {2,D} {3,S} 2 O u0 {1,D} 3 R u0 {1,S} @@ -259,6 +280,7 @@ label = "CO_pri_rad", group = """ +multiplicity [2] 1 *1 C u1 {2,D} {3,S} 2 O u0 {1,D} 3 H u0 {1,S} @@ -271,6 +293,7 @@ label = "CO_sec_rad", group = """ +multiplicity [2] 1 *1 C u1 {2,D} {3,S} 2 O u0 {1,D} 3 R!H u0 {1,S} @@ -283,6 +306,7 @@ label = "CO_rad/NonDe", group = """ +multiplicity [2] 1 *1 C u1 {2,D} {3,S} 2 O u0 {1,D} 3 [Cs,O,S] u0 {1,S} @@ -295,6 +319,7 @@ label = "CO_rad/OneDe", group = """ +multiplicity [2] 1 *1 C u1 {2,D} {3,S} 2 O u0 {1,D} 3 [Cd,Ct,Cb,CO,CS] u0 {1,S} @@ -307,6 +332,7 @@ label = "CS_rad", group = """ +multiplicity [2] 1 *1 C u1 {2,D} {3,S} 2 S u0 {1,D} 3 R u0 {1,S} @@ -319,6 +345,7 @@ label = "CS_pri_rad", group = """ +multiplicity [2] 1 *1 C u1 {2,D} {3,S} 2 S u0 {1,D} 3 H u0 {1,S} @@ -331,6 +358,7 @@ label = "CS_sec_rad", group = """ +multiplicity [2] 1 *1 C u1 {2,D} {3,S} 2 S u0 {1,D} 3 R!H u0 {1,S} @@ -343,6 +371,7 @@ label = "CS_rad/NonDe", group = """ +multiplicity [2] 1 *1 C u1 {2,D} {3,S} 2 S u0 {1,D} 3 [Cs,O,S] u0 {1,S} @@ -355,6 +384,7 @@ label = "CS_rad/OneDe", group = """ +multiplicity [2] 1 *1 C u1 {2,D} {3,S} 2 S u0 {1,D} 3 [Cd,Ct,Cb,CO,CS] u0 {1,S} @@ -367,6 +397,7 @@ label = "Cs_rad", group = """ +multiplicity [2] 1 *1 C u1 {2,S} {3,S} {4,S} 2 R u0 {1,S} 3 R u0 {1,S} @@ -380,6 +411,7 @@ label = "C_methyl", group = """ +multiplicity [2] 1 *1 C u1 {2,S} {3,S} {4,S} 2 H u0 {1,S} 3 H u0 {1,S} @@ -393,6 +425,7 @@ label = "C_pri_rad", group = """ +multiplicity [2] 1 *1 C u1 {2,S} {3,S} {4,S} 2 H u0 {1,S} 3 H u0 {1,S} @@ -406,6 +439,7 @@ label = "C_rad/H2/Cs", group = """ +multiplicity [2] 1 *1 C u1 {2,S} {3,S} {4,S} 2 H u0 {1,S} 3 H u0 {1,S} @@ -419,6 +453,7 @@ label = "C_rad/H2/Cd", group = """ +multiplicity [2] 1 *1 C u1 {2,S} {3,S} {4,S} 2 H u0 {1,S} 3 H u0 {1,S} @@ -432,6 +467,7 @@ label = "C_rad/H2/Ct", group = """ +multiplicity [2] 1 *1 C u1 {2,S} {3,S} {4,S} 2 H u0 {1,S} 3 H u0 {1,S} @@ -445,6 +481,7 @@ label = "C_rad/H2/Cb", group = """ +multiplicity [2] 1 *1 C u1 {2,S} {3,S} {4,S} 2 H u0 {1,S} 3 H u0 {1,S} @@ -458,6 +495,7 @@ label = "C_rad/H2/CO", group = """ +multiplicity [2] 1 *1 C u1 {2,S} {3,S} {4,S} 2 H u0 {1,S} 3 H u0 {1,S} @@ -471,6 +509,7 @@ label = "C_rad/H2/CS", group = """ +multiplicity [2] 1 *1 C u1 {2,S} {3,S} {4,S} 2 H u0 {1,S} 3 H u0 {1,S} @@ -484,6 +523,7 @@ label = "C_rad/H2/O", group = """ +multiplicity [2] 1 *1 C u1 {2,S} {3,S} {4,S} 2 H u0 {1,S} 3 H u0 {1,S} @@ -497,6 +537,7 @@ label = "C_rad/H2/S", group = """ +multiplicity [2] 1 *1 C u1 {2,S} {3,S} {4,S} 2 H u0 {1,S} 3 H u0 {1,S} @@ -510,6 +551,7 @@ label = "C_sec_rad", group = """ +multiplicity [2] 1 *1 C u1 {2,S} {3,S} {4,S} 2 H u0 {1,S} 3 R!H u0 {1,S} @@ -523,6 +565,7 @@ label = "C_rad/H/NonDeC", group = """ +multiplicity [2] 1 *1 C u1 {2,S} {3,S} {4,S} 2 H u0 {1,S} 3 Cs u0 {1,S} @@ -536,6 +579,7 @@ label = "C_rad/H/NonDeO", group = """ +multiplicity [2] 1 *1 C u1 {2,S} {3,S} {4,S} 2 H u0 {1,S} 3 O u0 {1,S} @@ -549,6 +593,7 @@ label = "C_rad/H/CsO", group = """ +multiplicity [2] 1 *1 C u1 {2,S} {3,S} {4,S} 2 H u0 {1,S} 3 Cs u0 {1,S} @@ -562,6 +607,7 @@ label = "C_rad/H/O2", group = """ +multiplicity [2] 1 *1 C u1 {2,S} {3,S} {4,S} 2 H u0 {1,S} 3 O u0 {1,S} @@ -575,6 +621,7 @@ label = "C_rad/H/NonDeS", group = """ +multiplicity [2] 1 *1 C u1 {2,S} {3,S} {4,S} 2 H u0 {1,S} 3 S u0 {1,S} @@ -588,6 +635,7 @@ label = "C_rad/H/OneDe", group = """ +multiplicity [2] 1 *1 C u1 {2,S} {3,S} {4,S} 2 H u0 {1,S} 3 [Cd,Ct,Cb,CO,CS] u0 {1,S} @@ -601,6 +649,7 @@ label = "C_rad/H/OneDeC", group = """ +multiplicity [2] 1 *1 C u1 {2,S} {3,S} {4,S} 2 H u0 {1,S} 3 [Cd,Ct,Cb,CO,CS] u0 {1,S} @@ -614,6 +663,7 @@ label = "C_rad/H/OneDeO", group = """ +multiplicity [2] 1 *1 C u1 {2,S} {3,S} {4,S} 2 H u0 {1,S} 3 [Cd,Ct,Cb,CO,CS] u0 {1,S} @@ -627,6 +677,7 @@ label = "C_rad/H/OneDeS", group = """ +multiplicity [2] 1 *1 C u1 {2,S} {3,S} {4,S} 2 H u0 {1,S} 3 [Cd,Ct,Cb,CO,CS] u0 {1,S} @@ -640,6 +691,7 @@ label = "C_rad/H/TwoDe", group = """ +multiplicity [2] 1 *1 C u1 {2,S} {3,S} {4,S} 2 H u0 {1,S} 3 [Cd,Ct,Cb,CO,CS] u0 {1,S} @@ -653,6 +705,7 @@ label = "C_ter_rad", group = """ +multiplicity [2] 1 *1 C u1 {2,S} {3,S} {4,S} 2 R!H u0 {1,S} 3 R!H u0 {1,S} @@ -666,6 +719,7 @@ label = "C_rad/NonDeC", group = """ +multiplicity [2] 1 *1 C u1 {2,S} {3,S} {4,S} 2 [Cs,O,S] u0 {1,S} 3 [Cs,O,S] u0 {1,S} @@ -679,6 +733,7 @@ label = "C_rad/Cs3", group = """ +multiplicity [2] 1 *1 C u1 {2,S} {3,S} {4,S} 2 Cs u0 {1,S} 3 Cs u0 {1,S} @@ -692,6 +747,7 @@ label = "C_rad/NDMustO", group = """ +multiplicity [2] 1 *1 C u1 {2,S} {3,S} {4,S} 2 O u0 {1,S} 3 [Cs,O,S] u0 {1,S} @@ -705,6 +761,7 @@ label = "C_rad/OneDe", group = """ +multiplicity [2] 1 *1 C u1 {2,S} {3,S} {4,S} 2 [Cd,Ct,Cb,CO,CS] u0 {1,S} 3 [Cs,O,S] u0 {1,S} @@ -718,6 +775,7 @@ label = "C_rad/Cs2", group = """ +multiplicity [2] 1 *1 C u1 {2,S} {3,S} {4,S} 2 [Cd,Ct,Cb,CO,CS] u0 {1,S} 3 Cs u0 {1,S} @@ -731,6 +789,7 @@ label = "C_rad/ODMustO", group = """ +multiplicity [2] 1 *1 C u1 {2,S} {3,S} {4,S} 2 [Cd,Ct,Cb,CO,CS] u0 {1,S} 3 O u0 {1,S} @@ -744,6 +803,7 @@ label = "C_rad/TwoDe", group = """ +multiplicity [2] 1 *1 C u1 {2,S} {3,S} {4,S} 2 [Cd,Ct,Cb,CO,CS] u0 {1,S} 3 [Cd,Ct,Cb,CO,CS] u0 {1,S} @@ -757,6 +817,7 @@ label = "C_rad/Cs", group = """ +multiplicity [2] 1 *1 C u1 {2,S} {3,S} {4,S} 2 [Cd,Ct,Cb,CO,CS] u0 {1,S} 3 [Cd,Ct,Cb,CO,CS] u0 {1,S} @@ -770,6 +831,7 @@ label = "C_rad/TDMustO", group = """ +multiplicity [2] 1 *1 C u1 {2,S} {3,S} {4,S} 2 [Cd,Ct,Cb,CO,CS] u0 {1,S} 3 [Cd,Ct,Cb,CO,CS] u0 {1,S} @@ -783,6 +845,7 @@ label = "C_rad/ThreeDe", group = """ +multiplicity [2] 1 *1 C u1 {2,S} {3,S} {4,S} 2 [Cd,Ct,Cb,CO,CS] u0 {1,S} 3 [Cd,Ct,Cb,CO,CS] u0 {1,S} @@ -796,6 +859,7 @@ label = "O_birad", group = """ +multiplicity [3] 1 *2 O u2 p2 """, kinetics = None, @@ -806,6 +870,7 @@ label = "S_birad", group = """ +multiplicity [3] 1 *2 S u2 p2 """, kinetics = None, @@ -816,6 +881,7 @@ label = "N_R_birad", group = """ +multiplicity [3] 1 *2 N u2 p1 """, kinetics = None, @@ -826,6 +892,7 @@ label = "N_birad/H", group = """ +multiplicity [3] 1 *2 N u2 p1 {2,S} 2 H u0 p0 {1,S} """, @@ -837,6 +904,7 @@ label = "N_birad/C", group = """ +multiplicity [3] 1 *2 N u2 p1 {2,S} 2 C ux {1,S} """, @@ -848,6 +916,7 @@ label = "N_birad/O", group = """ +multiplicity [3] 1 *2 N u2 p1 {2,S} 2 O ux {1,S} """, @@ -859,6 +928,7 @@ label = "N_birad/N", group = """ +multiplicity [3] 1 *2 N u2 p1 {2,S} 2 N ux {1,S} """, @@ -870,6 +940,7 @@ label = "N_birad/S", group = """ +multiplicity [3] 1 *2 N u2 p1 {2,S} 2 S ux {1,S} """, diff --git a/input/kinetics/families/Disproportionation/groups.py b/input/kinetics/families/Disproportionation/groups.py index 14339b203e..df0e3b07ae 100644 --- a/input/kinetics/families/Disproportionation/groups.py +++ b/input/kinetics/families/Disproportionation/groups.py @@ -33,7 +33,7 @@ label = "Root", group = """ -1 *2 R!H u0 {2,[S,D,B]} {3,S} +1 *2 R!H u[0,1] {2,[S,D,B]} {3,S} 2 *3 R!H u[1,2] {1,[S,D,B]} 3 *4 H u0 {1,S} 4 *1 R u[1,2,3,4]