diff --git a/src/fortran_src/network.f90 b/src/fortran_src/network.f90 index 9ea281c..fbfbc52 100644 --- a/src/fortran_src/network.f90 +++ b/src/fortran_src/network.f90 @@ -450,13 +450,13 @@ MODULE network &,9999,9999,9999,9999,9999,9999,9999,9999,9999,9999,9999,9999,9999,9999& &,9999,9999,9999,9999,9999,9999,9999,9999,9999,9999,9999,9999,9999,9999& &,9999,9999,9999,9999,9999,9999,9999,1,221,117,2,2,57,2,2,16,21,25,33,46& - &,57,28,36,44,96,117,117,149,142,129,129,129,221,225,46,57,2,2,2,2,96,117& + &,57,28,36,44,96,117,117,149,142,221,225,129,129,129,46,57,2,2,2,2,96,117& &,117,129,129,46,221,2,2,2,2,2,2,2,224,125,4,4,59,4,4,18,22,29,37,50,59& - &,30,38,49,110,125,125,153,151,138,138,138,224,227,50,59,4,4,4,4,110,125& + &,30,38,49,110,125,125,153,151,224,227,138,138,138,50,59,4,4,4,4,110,125& &,125,138,138,50,224,4,4,4,4,4,4,4,221,117,2,2,57,2,2,16,21,25,33,46,57& - &,28,36,44,96,117,117,149,142,129,129,129,221,225,46,57,2,2,2,2,96,117& + &,28,36,44,96,117,117,149,142,221,225,129,129,129,46,57,2,2,2,2,96,117& &,117,129,129,46,221,2,2,2,2,2,2,2,224,125,4,4,59,4,4,18,22,29,37,50,59& - &,30,38,49,110,125,125,153,151,138,138,138,224,227,50,59,4,4,4,4,110,125& + &,30,38,49,110,125,125,153,151,224,227,138,138,138,50,59,4,4,4,4,110,125& &,125,138,138,50,224,4,4,4,4,4,4,4,9999,9999,9999,9999,9999,9999,9999& &,9999,9999,9999,9999,9999,9999,9999,9999,9999,9999,9999,9999,9999,9999& &,9999,9999,9999,9999,9999,9999,9999,9999,9999,9999,9999,9999,9999,9999& @@ -851,14 +851,14 @@ MODULE network &,155,177,177,221,299,299,299,57,57,163,163,317,317,109,109,208,208,295& &,295,312,312,124,124,136,136,150,150,157,157,157,228,228,248,298,298,298& &,276,276,315,315,5,83,237,190,86,230,245,6,21,25,33,39,57,60,36,44,51& - &,117,129,96,156,156,149,142,117,225,44,230,268,257,181,331,260,225,250& + &,117,129,96,156,156,225,44,149,142,117,230,268,257,181,331,260,225,250& &,51,250,51,155,96,178,327,124,136,150,157,248,85,241,194,93,240,253,8,22& - &,29,37,48,59,64,38,49,58,125,138,110,168,168,153,151,125,227,49,240,273& + &,29,37,48,59,64,38,49,58,125,138,110,168,168,227,49,153,151,125,240,273& &,269,184,332,272,227,255,58,255,58,167,110,180,328,127,139,154,169,254& &,81,236,192,89,231,243,5,19,23,31,40,55,61,34,42,53,115,130,98,158,158& - &,148,140,115,226,42,231,267,261,182,330,263,226,249,53,249,53,160,98,172& + &,226,42,148,140,115,231,267,261,182,330,263,226,249,53,249,53,160,98,172& &,324,120,134,145,165,247,81,236,192,89,231,243,5,19,23,31,40,55,61,34,42& - &,53,115,130,98,158,158,148,140,115,226,42,231,267,261,182,330,263,226& + &,53,115,130,98,158,158,226,42,148,140,115,231,267,261,182,330,263,226& &,249,53,249,53,160,98,172,324,120,134,145,165,247,36,17,67,15,17,66,75& &,67,80,74,79,79,88,66,81,81,74,15,20,15,24,19,17,20,19,98,23,23,19,32,20& &,24,98,115,81,130,55,23,31,19,41,24,32,186,26,45,17,98,233,162,164,1,3& @@ -1023,17 +1023,17 @@ MODULE network &,9999,9999,9999,9999,9999,9999,9999,9999,9999,9999,9999,9999,9999,9999& &,9999,9999,9999,9999,9999,9999,9999,9999,1,9999,9999,9999,9999,9999,1& &,9999,9999,9999,9999,9999,96,9999,9999,9999,9999,9999,9999,9999,9999& - &,9999,9999,9999,9999,9999,9999,9999,9999,9999,6,9999,9999,9999,9999,6& - &,9999,96,5,9999,9999,9999,9999,9999,9999,9999,96,1,117,9999,128,9999& - &,9999,9999,9999,9999,9999,9999,110,9999,9999,9999,9999,9999,9999,9999& - &,9999,9999,9999,9999,9999,9999,9999,9999,9999,9999,8,9999,9999,9999,9999& - &,8,9999,110,5,9999,9999,9999,9999,9999,9999,9999,110,1,125,9999,137,9999& + &,9999,9999,9999,9999,9999,9999,9999,9999,9999,6,9999,9999,9999,96,9999& + &,9999,6,5,9999,9999,9999,9999,9999,9999,9999,96,1,117,9999,128,9999,9999& + &,9999,9999,9999,9999,9999,110,9999,9999,9999,9999,9999,9999,9999,9999& + &,9999,9999,9999,9999,9999,9999,9999,9999,9999,8,9999,9999,9999,110,9999& + &,9999,8,5,9999,9999,9999,9999,9999,9999,9999,110,1,125,9999,137,9999& &,9999,9999,9999,9999,9999,9999,98,9999,9999,9999,9999,9999,9999,9999& - &,9999,9999,9999,9999,9999,9999,9999,9999,9999,9999,5,9999,9999,9999,9999& - &,5,9999,98,5,9999,9999,9999,9999,9999,9999,9999,98,1,115,9999,132,9999& + &,9999,9999,9999,9999,9999,9999,9999,9999,9999,9999,5,9999,9999,9999,98& + &,9999,9999,5,5,9999,9999,9999,9999,9999,9999,9999,98,1,115,9999,132,9999& &,9999,9999,9999,9999,9999,9999,98,9999,9999,9999,9999,9999,9999,9999& - &,9999,9999,9999,9999,9999,9999,9999,9999,9999,9999,5,9999,9999,9999,9999& - &,5,9999,98,5,9999,9999,9999,9999,9999,9999,9999,98,1,115,9999,132,9999& + &,9999,9999,9999,9999,9999,9999,9999,9999,9999,9999,5,9999,9999,9999,98& + &,9999,9999,5,5,9999,9999,9999,9999,9999,9999,9999,98,1,115,9999,132,9999& &,9999,9999,9999,9999,9999,9999,96,333,333,15,15,1,333,1,333,1,1,5,5,26& &,15,66,66,1,333,3,333,1,5,1,3,23,55,1,5,333,5,1,40,31,31,5,31,5,1,5,333& &,5,1,333,15,15,45,45,333,15,15,1,1,1,5,1,333,1,5,333,1,1,333,1,5,172,5,1& @@ -1697,31 +1697,31 @@ MODULE network &,1.0000e+00,1.0000e+00,1.0000e+00,1.0000e+00,1.0000e+00,1.0000e+00& &,1.0000e+00,1.0000e+00,1.0000e+00,1.0000e+00,1.0000e+00,1.0000e+00& &,1.0000e+00,1.0000e+00,1.0000e+00,1.0000e+00,1.0000e+00,5.0000e-01& - &,5.0000e-01,1.0000e+00,1.0000e+00,3.3333e-01,3.3333e-01,3.3333e-01& - &,1.0000e+00,1.0000e+00,1.0000e+00,1.0000e+00,1.0000e+00,1.0000e+00& + &,5.0000e-01,1.0000e+00,1.0000e+00,5.0000e-01,5.0000e-01,3.3333e-01& + &,3.3333e-01,3.3333e-01,1.0000e+00,1.0000e+00,1.0000e+00,1.0000e+00& &,1.0000e+00,1.0000e+00,1.0000e+00,5.0000e-01,5.0000e-01,5.0000e-01& &,5.0000e-01,1.0000e+00,1.0000e+00,1.0000e+00,1.0000e+00,1.0000e+00& &,1.0000e+00,1.0000e+00,1.0000e+00,1.0000e+00,1.0000e+00,1.0000e+00& &,1.0000e+00,1.0000e+00,1.0000e+00,1.0000e+00,1.0000e+00,1.0000e+00& &,1.0000e+00,1.0000e+00,1.0000e+00,1.0000e+00,1.0000e+00,1.0000e+00& &,1.0000e+00,1.0000e+00,1.0000e+00,5.0000e-01,5.0000e-01,1.0000e+00& - &,1.0000e+00,3.3333e-01,3.3333e-01,3.3333e-01,1.0000e+00,1.0000e+00& + &,1.0000e+00,5.0000e-01,5.0000e-01,3.3333e-01,3.3333e-01,3.3333e-01& &,1.0000e+00,1.0000e+00,1.0000e+00,1.0000e+00,1.0000e+00,1.0000e+00& &,1.0000e+00,5.0000e-01,5.0000e-01,5.0000e-01,5.0000e-01,1.0000e+00& &,1.0000e+00,1.0000e+00,1.0000e+00,1.0000e+00,1.0000e+00,1.0000e+00& &,1.0000e+00,1.0000e+00,1.0000e+00,1.0000e+00,1.0000e+00,1.0000e+00& &,1.0000e+00,1.0000e+00,1.0000e+00,1.0000e+00,1.0000e+00,1.0000e+00& &,1.0000e+00,1.0000e+00,1.0000e+00,1.0000e+00,1.0000e+00,1.0000e+00& - &,1.0000e+00,5.0000e-01,5.0000e-01,1.0000e+00,1.0000e+00,3.3333e-01& - &,3.3333e-01,3.3333e-01,1.0000e+00,1.0000e+00,1.0000e+00,1.0000e+00& + &,1.0000e+00,5.0000e-01,5.0000e-01,1.0000e+00,1.0000e+00,5.0000e-01& + &,5.0000e-01,3.3333e-01,3.3333e-01,3.3333e-01,1.0000e+00,1.0000e+00& &,1.0000e+00,1.0000e+00,1.0000e+00,1.0000e+00,1.0000e+00,5.0000e-01& &,5.0000e-01,5.0000e-01,5.0000e-01,1.0000e+00,1.0000e+00,1.0000e+00& &,1.0000e+00,1.0000e+00,1.0000e+00,1.0000e+00,1.0000e+00,1.0000e+00& &,1.0000e+00,1.0000e+00,1.0000e+00,1.0000e+00,1.0000e+00,1.0000e+00& &,1.0000e+00,1.0000e+00,1.0000e+00,1.0000e+00,1.0000e+00,1.0000e+00& &,1.0000e+00,1.0000e+00,1.0000e+00,1.0000e+00,1.0000e+00,5.0000e-01& - &,5.0000e-01,1.0000e+00,1.0000e+00,3.3333e-01,3.3333e-01,3.3333e-01& - &,1.0000e+00,1.0000e+00,1.0000e+00,1.0000e+00,1.0000e+00,1.0000e+00& + &,5.0000e-01,1.0000e+00,1.0000e+00,5.0000e-01,5.0000e-01,3.3333e-01& + &,3.3333e-01,3.3333e-01,1.0000e+00,1.0000e+00,1.0000e+00,1.0000e+00& &,1.0000e+00,1.0000e+00,1.0000e+00,5.0000e-01,5.0000e-01,5.0000e-01& &,5.0000e-01,1.0000e+00,1.0000e+00,1.0000e+00,1.0000e+00,1.0000e+00& &,1.0000e+00,1.0000e+00,1.0000e+00,1.0000e+00,1.0000e-09,3.5000e-10& @@ -2761,31 +2761,31 @@ MODULE network &,0.0000e+00,0.0000e+00,0.0000e+00,0.0000e+00,1.0000e+03,0.0000e+00& &,0.0000e+00,0.0000e+00,0.0000e+00,0.0000e+00,0.0000e+00,0.0000e+00& &,0.0000e+00,0.0000e+00,0.0000e+00,0.0000e+00,2.5000e+03,0.0000e+00& - &,0.0000e+00,0.0000e+00,0.0000e+00,5.4000e+03,2.2000e+03,1.7400e+03& - &,0.0000e+00,2.3000e+03,0.0000e+00,0.0000e+00,0.0000e+00,0.0000e+00& + &,0.0000e+00,0.0000e+00,0.0000e+00,0.0000e+00,2.3000e+03,5.4000e+03& + &,2.2000e+03,1.7400e+03,0.0000e+00,0.0000e+00,0.0000e+00,0.0000e+00& &,0.0000e+00,0.0000e+00,4.2000e+03,0.0000e+00,0.0000e+00,0.0000e+00& &,0.0000e+00,0.0000e+00,0.0000e+00,0.0000e+00,0.0000e+00,0.0000e+00& &,0.0000e+00,0.0000e+00,0.0000e+00,0.0000e+00,0.0000e+00,0.0000e+00& &,0.0000e+00,0.0000e+00,1.0000e+03,0.0000e+00,0.0000e+00,0.0000e+00& &,0.0000e+00,0.0000e+00,0.0000e+00,0.0000e+00,0.0000e+00,0.0000e+00& &,0.0000e+00,0.0000e+00,2.5000e+03,0.0000e+00,0.0000e+00,0.0000e+00& - &,0.0000e+00,5.4000e+03,2.2000e+03,1.7400e+03,0.0000e+00,2.3000e+03& + &,0.0000e+00,0.0000e+00,2.3000e+03,5.4000e+03,2.2000e+03,1.7400e+03& &,0.0000e+00,0.0000e+00,0.0000e+00,0.0000e+00,0.0000e+00,0.0000e+00& &,4.2000e+03,0.0000e+00,0.0000e+00,0.0000e+00,0.0000e+00,0.0000e+00& &,0.0000e+00,0.0000e+00,0.0000e+00,0.0000e+00,0.0000e+00,0.0000e+00& &,0.0000e+00,0.0000e+00,0.0000e+00,0.0000e+00,0.0000e+00,0.0000e+00& &,1.0000e+03,0.0000e+00,0.0000e+00,0.0000e+00,0.0000e+00,0.0000e+00& &,0.0000e+00,0.0000e+00,0.0000e+00,0.0000e+00,0.0000e+00,0.0000e+00& - &,2.5000e+03,0.0000e+00,0.0000e+00,0.0000e+00,0.0000e+00,5.4000e+03& - &,2.2000e+03,1.7400e+03,0.0000e+00,2.3000e+03,0.0000e+00,0.0000e+00& + &,2.5000e+03,0.0000e+00,0.0000e+00,0.0000e+00,0.0000e+00,0.0000e+00& + &,2.3000e+03,5.4000e+03,2.2000e+03,1.7400e+03,0.0000e+00,0.0000e+00& &,0.0000e+00,0.0000e+00,0.0000e+00,0.0000e+00,4.2000e+03,0.0000e+00& &,0.0000e+00,0.0000e+00,0.0000e+00,0.0000e+00,0.0000e+00,0.0000e+00& &,0.0000e+00,0.0000e+00,0.0000e+00,0.0000e+00,0.0000e+00,0.0000e+00& &,0.0000e+00,0.0000e+00,0.0000e+00,0.0000e+00,1.0000e+03,0.0000e+00& &,0.0000e+00,0.0000e+00,0.0000e+00,0.0000e+00,0.0000e+00,0.0000e+00& &,0.0000e+00,0.0000e+00,0.0000e+00,0.0000e+00,2.5000e+03,0.0000e+00& - &,0.0000e+00,0.0000e+00,0.0000e+00,5.4000e+03,2.2000e+03,1.7400e+03& - &,0.0000e+00,2.3000e+03,0.0000e+00,0.0000e+00,0.0000e+00,0.0000e+00& + &,0.0000e+00,0.0000e+00,0.0000e+00,0.0000e+00,2.3000e+03,5.4000e+03& + &,2.2000e+03,1.7400e+03,0.0000e+00,0.0000e+00,0.0000e+00,0.0000e+00& &,0.0000e+00,0.0000e+00,4.2000e+03,0.0000e+00,0.0000e+00,0.0000e+00& &,0.0000e+00,0.0000e+00,0.0000e+00,0.0000e+00,0.0000e+00,0.0000e+00& &,0.0000e+00,0.0000e+00,0.0000e+00,0.0000e+00,1.7000e+00,3.7600e+00& diff --git a/src/fortran_src/odes.f90 b/src/fortran_src/odes.f90 index a373d87..f6705be 100644 --- a/src/fortran_src/odes.f90 +++ b/src/fortran_src/odes.f90 @@ -285,9 +285,9 @@ &*Y(2)*Y(25)+RATE(657)*Y(2)*Y(33)+RATE(658)*Y(2)*Y(46)+RATE(659)*Y(2)& &*Y(57)+RATE(660)*Y(2)*Y(28)+RATE(661)*Y(2)*Y(36)+RATE(662)*Y(2)*Y(44)& &+RATE(663)*Y(2)*Y(96)+RATE(664)*Y(2)*Y(117)+RATE(665)*Y(2)*Y(117)& - &+RATE(666)*Y(2)*Y(149)+RATE(667)*Y(2)*Y(142)+RATE(668)*Y(2)*Y(129)& - &+RATE(669)*Y(2)*Y(129)+RATE(670)*Y(2)*Y(129)+RATE(671)*Y(2)*Y(221)& - &+RATE(672)*Y(2)*Y(225)+RATE(675)*Y(245)*Y(2)+RATE(676)*Y(178)*Y(2)& + &+RATE(666)*Y(2)*Y(149)+RATE(667)*Y(2)*Y(142)+RATE(668)*Y(2)*Y(221)& + &+RATE(669)*Y(2)*Y(225)+RATE(670)*Y(2)*Y(129)+RATE(671)*Y(2)*Y(129)& + &+RATE(672)*Y(2)*Y(129)+RATE(675)*Y(245)*Y(2)+RATE(676)*Y(178)*Y(2)& &+RATE(677)*Y(327)*Y(2)+RATE(678)*Y(248)*Y(2)+RATE(686)*Y(163)*Y(2)& &+RATE(687)*Y(317)*Y(2)+RATE(688)*Y(109)*Y(2)+RATE(689)*Y(124)*Y(2)& &+RATE(690)*Y(136)*Y(2)+RATE(691)*Y(150)*Y(2)+RATE(692)*Y(228)*Y(2)& @@ -297,8 +297,8 @@ &*Y(46)+RATE(751)*Y(2)*Y(57)+RATE(752)*Y(2)*Y(28)+RATE(753)*Y(2)*Y(36)& &+RATE(754)*Y(2)*Y(44)+RATE(755)*Y(2)*Y(96)+RATE(756)*Y(2)*Y(117)& &+RATE(757)*Y(2)*Y(117)+RATE(758)*Y(2)*Y(149)+RATE(759)*Y(2)*Y(142)& - &+RATE(760)*Y(2)*Y(129)+RATE(761)*Y(2)*Y(129)+RATE(762)*Y(2)*Y(129)& - &+RATE(763)*Y(2)*Y(221)+RATE(764)*Y(2)*Y(225)+RATE(767)*Y(245)*Y(2)& + &+RATE(760)*Y(2)*Y(221)+RATE(761)*Y(2)*Y(225)+RATE(762)*Y(2)*Y(129)& + &+RATE(763)*Y(2)*Y(129)+RATE(764)*Y(2)*Y(129)+RATE(767)*Y(245)*Y(2)& &+RATE(768)*Y(178)*Y(2)+RATE(769)*Y(327)*Y(2)+RATE(770)*Y(248)*Y(2)& &+RATE(778)*Y(163)*Y(2)+RATE(779)*Y(317)*Y(2)+RATE(780)*Y(109)*Y(2)& &+RATE(781)*Y(124)*Y(2)+RATE(782)*Y(136)*Y(2)+RATE(783)*Y(150)*Y(2)& @@ -359,10 +359,10 @@ &)*Y(4)*Y(110)*bulkLayersReciprocal+RATE(710)*Y(4)*Y(125)& &*bulkLayersReciprocal+RATE(711)*Y(4)*Y(125)*bulkLayersReciprocal& &+RATE(712)*Y(4)*Y(153)*bulkLayersReciprocal+RATE(713)*Y(4)*Y(151)& - &*bulkLayersReciprocal+RATE(714)*Y(4)*Y(138)*bulkLayersReciprocal& - &+RATE(715)*Y(4)*Y(138)*bulkLayersReciprocal+RATE(716)*Y(4)*Y(138)& - &*bulkLayersReciprocal+RATE(717)*Y(4)*Y(224)*bulkLayersReciprocal& - &+RATE(718)*Y(4)*Y(227)*bulkLayersReciprocal+RATE(721)*Y(253)*Y(4)& + &*bulkLayersReciprocal+RATE(714)*Y(4)*Y(224)*bulkLayersReciprocal& + &+RATE(715)*Y(4)*Y(227)*bulkLayersReciprocal+RATE(716)*Y(4)*Y(138)& + &*bulkLayersReciprocal+RATE(717)*Y(4)*Y(138)*bulkLayersReciprocal& + &+RATE(718)*Y(4)*Y(138)*bulkLayersReciprocal+RATE(721)*Y(253)*Y(4)& &*bulkLayersReciprocal+RATE(722)*Y(180)*Y(4)*bulkLayersReciprocal& &+RATE(723)*Y(328)*Y(4)*bulkLayersReciprocal+RATE(724)*Y(254)*Y(4)& &*bulkLayersReciprocal+RATE(732)*Y(170)*Y(4)*bulkLayersReciprocal& @@ -382,10 +382,10 @@ &*bulkLayersReciprocal+RATE(801)*Y(4)*Y(110)*bulkLayersReciprocal& &+RATE(802)*Y(4)*Y(125)*bulkLayersReciprocal+RATE(803)*Y(4)*Y(125)& &*bulkLayersReciprocal+RATE(804)*Y(4)*Y(153)*bulkLayersReciprocal& - &+RATE(805)*Y(4)*Y(151)*bulkLayersReciprocal+RATE(806)*Y(4)*Y(138)& - &*bulkLayersReciprocal+RATE(807)*Y(4)*Y(138)*bulkLayersReciprocal& - &+RATE(808)*Y(4)*Y(138)*bulkLayersReciprocal+RATE(809)*Y(4)*Y(224)& - &*bulkLayersReciprocal+RATE(810)*Y(4)*Y(227)*bulkLayersReciprocal& + &+RATE(805)*Y(4)*Y(151)*bulkLayersReciprocal+RATE(806)*Y(4)*Y(224)& + &*bulkLayersReciprocal+RATE(807)*Y(4)*Y(227)*bulkLayersReciprocal& + &+RATE(808)*Y(4)*Y(138)*bulkLayersReciprocal+RATE(809)*Y(4)*Y(138)& + &*bulkLayersReciprocal+RATE(810)*Y(4)*Y(138)*bulkLayersReciprocal& &+RATE(813)*Y(253)*Y(4)*bulkLayersReciprocal+RATE(814)*Y(180)*Y(4)& &*bulkLayersReciprocal+RATE(815)*Y(328)*Y(4)*bulkLayersReciprocal& &+RATE(816)*Y(254)*Y(4)*bulkLayersReciprocal+RATE(824)*Y(170)*Y(4)& @@ -428,9 +428,9 @@ &+RATE(257)*Y(6)/safeMantle+RATE(340)*D*Y(6)/safeMantle*Y(1)+RATE(423)& &*Y(6)/safeMantle+RATE(478)*D*Y(1)*Y(2)/safeMantle+RATE(646)*D*Y(1)& &+RATE(673)*Y(129)*Y(46)+RATE(719)*Y(138)*Y(50)*bulkLayersReciprocal& - &+RATE(745)*Y(2)*Y(2)+RATE(757)*Y(2)*Y(117)+RATE(762)*Y(2)*Y(129)& + &+RATE(745)*Y(2)*Y(2)+RATE(757)*Y(2)*Y(117)+RATE(764)*Y(2)*Y(129)& &+RATE(765)*Y(129)*Y(46)+RATE(791)*Y(4)*Y(4)*bulkLayersReciprocal& - &+RATE(803)*Y(4)*Y(125)*bulkLayersReciprocal+RATE(808)*Y(4)*Y(138)& + &+RATE(803)*Y(4)*Y(125)*bulkLayersReciprocal+RATE(810)*Y(4)*Y(138)& &*bulkLayersReciprocal+RATE(811)*Y(138)*Y(50)*bulkLayersReciprocal& &+RATE(842)*Y(108)+RATE(843)*Y(122)+RATE(853)*Y(24)+RATE(859)*Y(31)& &+RATE(861)*Y(32)+RATE(866)*Y(158)+RATE(868)*Y(40)+RATE(870)*Y(40)& @@ -534,7 +534,7 @@ &+RATE(1083)*Y(6) PROD = RATE(30)*Y(8)*bulkLayersReciprocal+RATE(88)*Y(39)+RATE(97)& &*Y(51)+RATE(477)*D*Y(1)*Y(2)/safeMantle+RATE(531)*D*Y(5)+RATE(532)*D*Y(7& - &)+RATE(653)*Y(2)*Y(2)+RATE(665)*Y(2)*Y(117)+RATE(670)*Y(2)*Y(129) + &)+RATE(653)*Y(2)*Y(2)+RATE(665)*Y(2)*Y(117)+RATE(672)*Y(2)*Y(129) YDOT(6) = PROD-LOSS LOSS = RATE(152)*Y(7)+RATE(532)*D*Y(7)+RATE(883)*Y(7)+RATE(1827)*D& &*Y(1)*Y(7)+RATE(2032)*D*Y(7)*Y(66)+RATE(2033)*D*Y(7)*Y(79)+RATE(2034)*D& @@ -558,7 +558,7 @@ YDOT(7) = PROD-LOSS LOSS = RATE(30)*Y(8)*bulkLayersReciprocal+RATE(1166)*Y(8) PROD = RATE(699)*Y(4)*Y(4)*bulkLayersReciprocal+RATE(711)*Y(4)*Y(125& - &)*bulkLayersReciprocal+RATE(716)*Y(4)*Y(138)*bulkLayersReciprocal& + &)*bulkLayersReciprocal+RATE(718)*Y(4)*Y(138)*bulkLayersReciprocal& &+RATE(1000)*Y(6)*totalSwap/safeMantle YDOT(8) = PROD-LOSS LOSS = RATE(550)*D*Y(9)+RATE(2181)*D*Y(9)*Y(333)+RATE(2182)*D*Y(9)& @@ -1394,8 +1394,8 @@ &*Y(42)+RATE(2931)*D*Y(45)*Y(42)+RATE(2972)*D*Y(47)*Y(42) PROD = RATE(190)*Y(249)+RATE(192)*Y(53)+RATE(285)*Y(44)/safeMantle& &+RATE(368)*D*Y(44)/safeMantle*Y(1)+RATE(451)*Y(44)/safeMantle+RATE(753)& - &*Y(2)*Y(36)+RATE(764)*Y(2)*Y(225)+RATE(799)*Y(4)*Y(38)& - &*bulkLayersReciprocal+RATE(810)*Y(4)*Y(227)*bulkLayersReciprocal& + &*Y(2)*Y(36)+RATE(761)*Y(2)*Y(225)+RATE(799)*Y(4)*Y(38)& + &*bulkLayersReciprocal+RATE(807)*Y(4)*Y(227)*bulkLayersReciprocal& &+RATE(927)*Y(249)+RATE(928)*Y(53)+RATE(1111)*Y(44)+RATE(1194)*Y(49)& &+RATE(1457)*D*Y(19)*Y(43)+RATE(1570)*D*Y(23)*Y(43)+RATE(1588)*D*Y(23)& &*Y(54)+RATE(1645)*D*Y(31)*Y(53)+RATE(1761)*D*Y(185)*Y(53)+RATE(1865)*D& @@ -1443,7 +1443,7 @@ &+RATE(774)*Y(44)*Y(129)+RATE(775)*Y(44)*Y(129)+RATE(1028)*Y(44)& &*totalSwap/safeMantle+RATE(1111)*Y(44) PROD = RATE(58)*Y(49)*bulkLayersReciprocal+RATE(98)*Y(51)+RATE(592)& - &*D*Y(42)+RATE(593)*D*Y(43)+RATE(661)*Y(2)*Y(36)+RATE(672)*Y(2)*Y(225) + &*D*Y(42)+RATE(593)*D*Y(43)+RATE(661)*Y(2)*Y(36)+RATE(669)*Y(2)*Y(225) YDOT(44) = PROD-LOSS LOSS = RATE(108)*Y(45)+RATE(198)*Y(45)+RATE(603)*D*Y(45)+RATE(1287)& &*D*Y(15)*Y(45)+RATE(1360)*D*Y(17)*Y(45)+RATE(1449)*D*Y(19)*Y(45)& @@ -1605,7 +1605,7 @@ &*bulkLayersReciprocal+RATE(819)*Y(49)*Y(125)*bulkLayersReciprocal& &+RATE(820)*Y(49)*Y(138)*bulkLayersReciprocal+RATE(821)*Y(49)*Y(138)& &*bulkLayersReciprocal+RATE(1194)*Y(49) - PROD = RATE(707)*Y(4)*Y(38)*bulkLayersReciprocal+RATE(718)*Y(4)& + PROD = RATE(707)*Y(4)*Y(38)*bulkLayersReciprocal+RATE(715)*Y(4)& &*Y(227)*bulkLayersReciprocal+RATE(1028)*Y(44)*totalSwap/safeMantle YDOT(49) = PROD-LOSS LOSS = RATE(64)*Y(50)*bulkLayersReciprocal+RATE(704)*Y(4)*Y(50)& @@ -2409,7 +2409,7 @@ &*Y(96) PROD = RATE(26)*Y(110)*bulkLayersReciprocal+RATE(90)*Y(129)+RATE(93)& &*Y(117)+RATE(109)*Y(225)+RATE(523)*D*Y(98)+RATE(524)*D*Y(99)+RATE(647)& - &*Y(16)*Y(221)+RATE(665)*Y(2)*Y(117)+RATE(672)*Y(2)*Y(225)+RATE(681)*Y(44& + &*Y(16)*Y(221)+RATE(665)*Y(2)*Y(117)+RATE(669)*Y(2)*Y(225)+RATE(681)*Y(44& &)*Y(117)+RATE(685)*Y(46)*Y(221)+RATE(831)*Y(225) YDOT(96) = PROD-LOSS LOSS = RATE(282)*Y(97)/safeMantle+RATE(365)*D*Y(97)/safeMantle*Y(1)& @@ -2434,10 +2434,10 @@ PROD = RATE(131)*Y(217)+RATE(136)*Y(236)+RATE(149)*Y(231)+RATE(154)& &*Y(130)+RATE(169)*Y(115)+RATE(175)*Y(226)+RATE(206)*Y(300)+RATE(253)& &*Y(96)/safeMantle+RATE(336)*D*Y(96)/safeMantle*Y(1)+RATE(419)*Y(96& - &)/safeMantle+RATE(739)*Y(16)*Y(221)+RATE(757)*Y(2)*Y(117)+RATE(764)*Y(2)& + &)/safeMantle+RATE(739)*Y(16)*Y(221)+RATE(757)*Y(2)*Y(117)+RATE(761)*Y(2)& &*Y(225)+RATE(773)*Y(44)*Y(117)+RATE(777)*Y(46)*Y(221)+RATE(785)*Y(18)& &*Y(224)*bulkLayersReciprocal+RATE(803)*Y(4)*Y(125)*bulkLayersReciprocal& - &+RATE(810)*Y(4)*Y(227)*bulkLayersReciprocal+RATE(819)*Y(49)*Y(125)& + &+RATE(807)*Y(4)*Y(227)*bulkLayersReciprocal+RATE(819)*Y(49)*Y(125)& &*bulkLayersReciprocal+RATE(823)*Y(50)*Y(224)*bulkLayersReciprocal& &+RATE(856)*Y(217)+RATE(863)*Y(236)+RATE(878)*Y(231)+RATE(885)*Y(130)& &+RATE(886)*Y(130)+RATE(903)*Y(115)+RATE(910)*Y(226)+RATE(942)*Y(300)& @@ -2718,7 +2718,7 @@ &*bulkLayersReciprocal+RATE(801)*Y(4)*Y(110)*bulkLayersReciprocal& &+RATE(817)*Y(38)*Y(110)*bulkLayersReciprocal+RATE(1162)*Y(110) PROD = RATE(693)*Y(18)*Y(224)*bulkLayersReciprocal+RATE(711)*Y(4)& - &*Y(125)*bulkLayersReciprocal+RATE(718)*Y(4)*Y(227)*bulkLayersReciprocal& + &*Y(125)*bulkLayersReciprocal+RATE(715)*Y(4)*Y(227)*bulkLayersReciprocal& &+RATE(727)*Y(49)*Y(125)*bulkLayersReciprocal+RATE(731)*Y(50)*Y(224)& &*bulkLayersReciprocal+RATE(996)*Y(96)*totalSwap/safeMantle YDOT(110) = PROD-LOSS @@ -2770,8 +2770,8 @@ &+RATE(3108)*D*Y(162)*Y(115) PROD = RATE(137)*Y(236)+RATE(171)*Y(267)+RATE(190)*Y(249)+RATE(269)& &*Y(117)/safeMantle+RATE(352)*D*Y(117)/safeMantle*Y(1)+RATE(435)*Y(117& - &)/safeMantle+RATE(755)*Y(2)*Y(96)+RATE(762)*Y(2)*Y(129)+RATE(775)*Y(44)& - &*Y(129)+RATE(801)*Y(4)*Y(110)*bulkLayersReciprocal+RATE(808)*Y(4)*Y(138)& + &)/safeMantle+RATE(755)*Y(2)*Y(96)+RATE(764)*Y(2)*Y(129)+RATE(775)*Y(44)& + &*Y(129)+RATE(801)*Y(4)*Y(110)*bulkLayersReciprocal+RATE(810)*Y(4)*Y(138)& &*bulkLayersReciprocal+RATE(821)*Y(49)*Y(138)*bulkLayersReciprocal& &+RATE(864)*Y(236)+RATE(906)*Y(267)+RATE(927)*Y(249)+RATE(1095)*Y(117)& &+RATE(1178)*Y(125)+RATE(1251)*D*Y(15)*Y(158)+RATE(1318)*D*Y(17)*Y(158)& @@ -2852,7 +2852,7 @@ &*totalSwap/safeMantle+RATE(1095)*Y(117) PROD = RATE(42)*Y(125)*bulkLayersReciprocal+RATE(89)*Y(129)+RATE(559& &)*D*Y(115)+RATE(560)*D*Y(116)+RATE(574)*D*Y(118)+RATE(663)*Y(2)*Y(96)& - &+RATE(670)*Y(2)*Y(129)+RATE(683)*Y(44)*Y(129) + &+RATE(672)*Y(2)*Y(129)+RATE(683)*Y(44)*Y(129) YDOT(117) = PROD-LOSS LOSS = RATE(574)*D*Y(118)+RATE(1972)*D*Y(5)*Y(118)+RATE(2494)*D& &*Y(118)*Y(333) @@ -2930,7 +2930,7 @@ &+RATE(803)*Y(4)*Y(125)*bulkLayersReciprocal+RATE(812)*Y(125)*Y(59)& &*bulkLayersReciprocal+RATE(818)*Y(49)*Y(125)*bulkLayersReciprocal& &+RATE(819)*Y(49)*Y(125)*bulkLayersReciprocal+RATE(1178)*Y(125) - PROD = RATE(709)*Y(4)*Y(110)*bulkLayersReciprocal+RATE(716)*Y(4)& + PROD = RATE(709)*Y(4)*Y(110)*bulkLayersReciprocal+RATE(718)*Y(4)& &*Y(138)*bulkLayersReciprocal+RATE(729)*Y(49)*Y(138)*bulkLayersReciprocal& &+RATE(1012)*Y(117)*totalSwap/safeMantle YDOT(125) = PROD-LOSS @@ -2950,10 +2950,10 @@ &)*D*Y(132)+RATE(599)*D*Y(133)+RATE(685)*Y(46)*Y(221) YDOT(128) = PROD-LOSS LOSS = RATE(89)*Y(129)+RATE(90)*Y(129)+RATE(259)*Y(129)/safeMantle& - &+RATE(342)*D*Y(129)/safeMantle*Y(1)+RATE(425)*Y(129)/safeMantle+RATE(668& - &)*Y(2)*Y(129)+RATE(669)*Y(2)*Y(129)+RATE(670)*Y(2)*Y(129)+RATE(673)& - &*Y(129)*Y(46)+RATE(682)*Y(44)*Y(129)+RATE(683)*Y(44)*Y(129)+RATE(760)& - &*Y(2)*Y(129)+RATE(761)*Y(2)*Y(129)+RATE(762)*Y(2)*Y(129)+RATE(765)*Y(129& + &+RATE(342)*D*Y(129)/safeMantle*Y(1)+RATE(425)*Y(129)/safeMantle+RATE(670& + &)*Y(2)*Y(129)+RATE(671)*Y(2)*Y(129)+RATE(672)*Y(2)*Y(129)+RATE(673)& + &*Y(129)*Y(46)+RATE(682)*Y(44)*Y(129)+RATE(683)*Y(44)*Y(129)+RATE(762)& + &*Y(2)*Y(129)+RATE(763)*Y(2)*Y(129)+RATE(764)*Y(2)*Y(129)+RATE(765)*Y(129& &)*Y(46)+RATE(774)*Y(44)*Y(129)+RATE(775)*Y(44)*Y(129)+RATE(1002)*Y(129)& &*totalSwap/safeMantle+RATE(1085)*Y(129) PROD = RATE(32)*Y(138)*bulkLayersReciprocal+RATE(535)*D*Y(130)& @@ -3142,13 +3142,13 @@ PROD = RATE(731)*Y(50)*Y(224)*bulkLayersReciprocal+RATE(1031)*Y(128)& &*totalSwap/safeMantle YDOT(137) = PROD-LOSS - LOSS = RATE(32)*Y(138)*bulkLayersReciprocal+RATE(714)*Y(4)*Y(138)& - &*bulkLayersReciprocal+RATE(715)*Y(4)*Y(138)*bulkLayersReciprocal& - &+RATE(716)*Y(4)*Y(138)*bulkLayersReciprocal+RATE(719)*Y(138)*Y(50)& + LOSS = RATE(32)*Y(138)*bulkLayersReciprocal+RATE(716)*Y(4)*Y(138)& + &*bulkLayersReciprocal+RATE(717)*Y(4)*Y(138)*bulkLayersReciprocal& + &+RATE(718)*Y(4)*Y(138)*bulkLayersReciprocal+RATE(719)*Y(138)*Y(50)& &*bulkLayersReciprocal+RATE(728)*Y(49)*Y(138)*bulkLayersReciprocal& - &+RATE(729)*Y(49)*Y(138)*bulkLayersReciprocal+RATE(806)*Y(4)*Y(138)& - &*bulkLayersReciprocal+RATE(807)*Y(4)*Y(138)*bulkLayersReciprocal& - &+RATE(808)*Y(4)*Y(138)*bulkLayersReciprocal+RATE(811)*Y(138)*Y(50)& + &+RATE(729)*Y(49)*Y(138)*bulkLayersReciprocal+RATE(808)*Y(4)*Y(138)& + &*bulkLayersReciprocal+RATE(809)*Y(4)*Y(138)*bulkLayersReciprocal& + &+RATE(810)*Y(4)*Y(138)*bulkLayersReciprocal+RATE(811)*Y(138)*Y(50)& &*bulkLayersReciprocal+RATE(820)*Y(49)*Y(138)*bulkLayersReciprocal& &+RATE(821)*Y(49)*Y(138)*bulkLayersReciprocal+RATE(1168)*Y(138) PROD = RATE(710)*Y(4)*Y(125)*bulkLayersReciprocal+RATE(1002)*Y(129)& @@ -3162,7 +3162,7 @@ YDOT(139) = PROD-LOSS LOSS = RATE(537)*D*Y(140) PROD = RATE(260)*Y(142)/safeMantle+RATE(343)*D*Y(142)/safeMantle*Y(1& - &)+RATE(426)*Y(142)/safeMantle+RATE(761)*Y(2)*Y(129)+RATE(807)*Y(4)*Y(138& + &)+RATE(426)*Y(142)/safeMantle+RATE(763)*Y(2)*Y(129)+RATE(809)*Y(4)*Y(138& &)*bulkLayersReciprocal+RATE(1086)*Y(142)+RATE(1169)*Y(151) YDOT(140) = PROD-LOSS LOSS = RATE(538)*D*Y(141)+RATE(1468)*D*Y(19)*Y(141)+RATE(2097)*D& @@ -3190,7 +3190,7 @@ &)+RATE(426)*Y(142)/safeMantle+RATE(667)*Y(2)*Y(142)+RATE(759)*Y(2)*Y(142& &)+RATE(1003)*Y(142)*totalSwap/safeMantle+RATE(1086)*Y(142) PROD = RATE(33)*Y(151)*bulkLayersReciprocal+RATE(86)*Y(156)+RATE(537& - &)*D*Y(140)+RATE(538)*D*Y(141)+RATE(669)*Y(2)*Y(129) + &)*D*Y(140)+RATE(538)*D*Y(141)+RATE(671)*Y(2)*Y(129) YDOT(142) = PROD-LOSS LOSS = RATE(176)*Y(143)+RATE(571)*D*Y(143)+RATE(911)*Y(143)& &+RATE(1356)*D*Y(17)*Y(143)+RATE(1357)*D*Y(17)*Y(143)+RATE(1497)*D*Y(19)& @@ -3253,7 +3253,7 @@ &*Y(148)+RATE(2386)*D*Y(12)*Y(148)+RATE(2912)*D*Y(45)*Y(148)+RATE(3051)*D& &*Y(55)*Y(148) PROD = RATE(243)*Y(149)/safeMantle+RATE(326)*D*Y(149)/safeMantle*Y(1& - &)+RATE(409)*Y(149)/safeMantle+RATE(760)*Y(2)*Y(129)+RATE(806)*Y(4)*Y(138& + &)+RATE(409)*Y(149)/safeMantle+RATE(762)*Y(2)*Y(129)+RATE(808)*Y(4)*Y(138& &)*bulkLayersReciprocal+RATE(1069)*Y(149)+RATE(1152)*Y(153)+RATE(1693)*D& &*Y(171)*Y(333)+RATE(1759)*D*Y(185)*Y(158)+RATE(1783)*D*Y(81)*Y(158)& &+RATE(2913)*D*Y(45)*Y(158) @@ -3262,7 +3262,7 @@ &)+RATE(409)*Y(149)/safeMantle+RATE(666)*Y(2)*Y(149)+RATE(758)*Y(2)*Y(149& &)+RATE(986)*Y(149)*totalSwap/safeMantle+RATE(1069)*Y(149) PROD = RATE(16)*Y(153)*bulkLayersReciprocal+RATE(85)*Y(156)+RATE(506& - &)*D*Y(148)+RATE(668)*Y(2)*Y(129) + &)*D*Y(148)+RATE(670)*Y(2)*Y(129) YDOT(149) = PROD-LOSS LOSS = RATE(305)*Y(150)/safeMantle+RATE(388)*D*Y(150)/safeMantle*Y(1& &)+RATE(471)*Y(150)/safeMantle+RATE(691)*Y(150)*Y(2)+RATE(783)*Y(150)*Y(2& @@ -3273,7 +3273,7 @@ LOSS = RATE(33)*Y(151)*bulkLayersReciprocal+RATE(713)*Y(4)*Y(151)& &*bulkLayersReciprocal+RATE(805)*Y(4)*Y(151)*bulkLayersReciprocal& &+RATE(1169)*Y(151) - PROD = RATE(715)*Y(4)*Y(138)*bulkLayersReciprocal+RATE(1003)*Y(142)& + PROD = RATE(717)*Y(4)*Y(138)*bulkLayersReciprocal+RATE(1003)*Y(142)& &*totalSwap/safeMantle YDOT(151) = PROD-LOSS LOSS = RATE(49)*Y(152)*bulkLayersReciprocal+RATE(1185)*Y(152) @@ -3282,7 +3282,7 @@ LOSS = RATE(16)*Y(153)*bulkLayersReciprocal+RATE(712)*Y(4)*Y(153)& &*bulkLayersReciprocal+RATE(804)*Y(4)*Y(153)*bulkLayersReciprocal& &+RATE(1152)*Y(153) - PROD = RATE(714)*Y(4)*Y(138)*bulkLayersReciprocal+RATE(986)*Y(149)& + PROD = RATE(716)*Y(4)*Y(138)*bulkLayersReciprocal+RATE(986)*Y(149)& &*totalSwap/safeMantle YDOT(153) = PROD-LOSS LOSS = RATE(78)*Y(154)*bulkLayersReciprocal+RATE(737)*Y(154)*Y(4)& @@ -3968,8 +3968,8 @@ &+RATE(3058)*D*Y(55)*Y(291) YDOT(220) = PROD-LOSS LOSS = RATE(294)*Y(221)/safeMantle+RATE(377)*D*Y(221)/safeMantle*Y(1& - &)+RATE(460)*Y(221)/safeMantle+RATE(647)*Y(16)*Y(221)+RATE(671)*Y(2)& - &*Y(221)+RATE(685)*Y(46)*Y(221)+RATE(739)*Y(16)*Y(221)+RATE(763)*Y(2)& + &)+RATE(460)*Y(221)/safeMantle+RATE(647)*Y(16)*Y(221)+RATE(668)*Y(2)& + &*Y(221)+RATE(685)*Y(46)*Y(221)+RATE(739)*Y(16)*Y(221)+RATE(760)*Y(2)& &*Y(221)+RATE(777)*Y(46)*Y(221)+RATE(1037)*Y(221)*totalSwap/safeMantle& &+RATE(1120)*Y(221) PROD = RATE(67)*Y(224)*bulkLayersReciprocal+RATE(609)*D*Y(220) @@ -3981,31 +3981,31 @@ PROD = RATE(991)*Y(216)*totalSwap/safeMantle YDOT(223) = PROD-LOSS LOSS = RATE(67)*Y(224)*bulkLayersReciprocal+RATE(693)*Y(18)*Y(224)& - &*bulkLayersReciprocal+RATE(717)*Y(4)*Y(224)*bulkLayersReciprocal& + &*bulkLayersReciprocal+RATE(714)*Y(4)*Y(224)*bulkLayersReciprocal& &+RATE(731)*Y(50)*Y(224)*bulkLayersReciprocal+RATE(785)*Y(18)*Y(224)& - &*bulkLayersReciprocal+RATE(809)*Y(4)*Y(224)*bulkLayersReciprocal& + &*bulkLayersReciprocal+RATE(806)*Y(4)*Y(224)*bulkLayersReciprocal& &+RATE(823)*Y(50)*Y(224)*bulkLayersReciprocal+RATE(1203)*Y(224) PROD = RATE(1037)*Y(221)*totalSwap/safeMantle YDOT(224) = PROD-LOSS LOSS = RATE(109)*Y(225)+RATE(275)*Y(225)/safeMantle+RATE(358)*D& - &*Y(225)/safeMantle*Y(1)+RATE(441)*Y(225)/safeMantle+RATE(672)*Y(2)*Y(225& - &)+RATE(764)*Y(2)*Y(225)+RATE(831)*Y(225)+RATE(1018)*Y(225)& + &*Y(225)/safeMantle*Y(1)+RATE(441)*Y(225)/safeMantle+RATE(669)*Y(2)*Y(225& + &)+RATE(761)*Y(2)*Y(225)+RATE(831)*Y(225)+RATE(1018)*Y(225)& &*totalSwap/safeMantle+RATE(1101)*Y(225) PROD = RATE(48)*Y(227)*bulkLayersReciprocal+RATE(570)*D*Y(226)& - &+RATE(671)*Y(2)*Y(221)+RATE(679)*Y(36)*Y(96) + &+RATE(668)*Y(2)*Y(221)+RATE(679)*Y(36)*Y(96) YDOT(225) = PROD-LOSS LOSS = RATE(175)*Y(226)+RATE(570)*D*Y(226)+RATE(910)*Y(226)& &+RATE(1957)*D*Y(3)*Y(226)+RATE(2489)*D*Y(226)*Y(15) PROD = RATE(275)*Y(225)/safeMantle+RATE(358)*D*Y(225)/safeMantle*Y(1& - &)+RATE(441)*Y(225)/safeMantle+RATE(763)*Y(2)*Y(221)+RATE(771)*Y(36)*Y(96& - &)+RATE(809)*Y(4)*Y(224)*bulkLayersReciprocal+RATE(817)*Y(38)*Y(110)& + &)+RATE(441)*Y(225)/safeMantle+RATE(760)*Y(2)*Y(221)+RATE(771)*Y(36)*Y(96& + &)+RATE(806)*Y(4)*Y(224)*bulkLayersReciprocal+RATE(817)*Y(38)*Y(110)& &*bulkLayersReciprocal+RATE(1101)*Y(225)+RATE(1184)*Y(227)+RATE(1604)*D& &*Y(23)*Y(132)+RATE(3056)*D*Y(55)*Y(91) YDOT(226) = PROD-LOSS - LOSS = RATE(48)*Y(227)*bulkLayersReciprocal+RATE(718)*Y(4)*Y(227)& - &*bulkLayersReciprocal+RATE(810)*Y(4)*Y(227)*bulkLayersReciprocal& + LOSS = RATE(48)*Y(227)*bulkLayersReciprocal+RATE(715)*Y(4)*Y(227)& + &*bulkLayersReciprocal+RATE(807)*Y(4)*Y(227)*bulkLayersReciprocal& &+RATE(1184)*Y(227) - PROD = RATE(717)*Y(4)*Y(224)*bulkLayersReciprocal+RATE(725)*Y(38)& + PROD = RATE(714)*Y(4)*Y(224)*bulkLayersReciprocal+RATE(725)*Y(38)& &*Y(110)*bulkLayersReciprocal+RATE(1018)*Y(225)*totalSwap/safeMantle YDOT(227) = PROD-LOSS LOSS = RATE(307)*Y(228)/safeMantle+RATE(390)*D*Y(228)/safeMantle*Y(1& diff --git a/src/uclchem/constants.py b/src/uclchem/constants.py index f1da36c..0b494f0 100644 --- a/src/uclchem/constants.py +++ b/src/uclchem/constants.py @@ -1,4 +1,4 @@ -# This file was machine generated with Makerates on 2024-09-26 11:51:51.970014 +# This file was machine generated with Makerates on 2024-10-14 13:13:51.852692 # This file contains the default magic numbers that ensure that fortran and # python are in sync. If you adjust anything here, you must: # 1. rerun makerates (this puts the magic numbers in fortran) diff --git a/src/uclchem/makerates/io_functions.py b/src/uclchem/makerates/io_functions.py index 1404515..91a1a16 100755 --- a/src/uclchem/makerates/io_functions.py +++ b/src/uclchem/makerates/io_functions.py @@ -13,9 +13,9 @@ import numpy as np from uclchem.constants import PHYSICAL_PARAMETERS -from uclchem.makerates.network import Network -from uclchem.makerates.reaction import Reaction, reaction_types -from uclchem.makerates.species import Species +from .network import Network +from .reaction import Reaction, reaction_types +from .species import Species def read_species_file(file_name: Path) -> list[Species]: diff --git a/src/uclchem/makerates/makerates.py b/src/uclchem/makerates/makerates.py index e472fbd..3aec3c2 100644 --- a/src/uclchem/makerates/makerates.py +++ b/src/uclchem/makerates/makerates.py @@ -4,9 +4,9 @@ import yaml -import uclchem.makerates.io_functions as io -from uclchem.makerates import Network -from uclchem.makerates.network import LoadedNetwork +from . import io_functions as io +from .network import Network +from .network import LoadedNetwork param_list = [ "species_file", diff --git a/src/uclchem/makerates/network.py b/src/uclchem/makerates/network.py index 3fc3b07..55b82ac 100644 --- a/src/uclchem/makerates/network.py +++ b/src/uclchem/makerates/network.py @@ -1056,12 +1056,17 @@ def branching_ratios_checks(self) -> None: for i, reaction in enumerate(self.get_reaction_list()): if reaction.get_reaction_type() in ["LH", "LHDES"]: reactant_string = ",".join(reaction.get_reactants()) + # Check if we need to correct the branching ratio (smaller than 0.98 is allowed) if ( reactant_string in branching_reactions and branching_reactions[reactant_string] != 1.0 - ): + ): new_reaction = deepcopy(reaction) if branching_reactions[reactant_string] != 0.0: + + if branching_reactions[reactant_string] < 0.99: + logging.warning(f"You have reaction {reaction} with a branching ratio {branching_reactions[reactant_string] } we are assuming you set this lower on purpose.") + continue new_alpha = ( new_reaction.get_alpha() / branching_reactions[reactant_string] diff --git a/src/uclchem/reactions.csv b/src/uclchem/reactions.csv index b40c0d4..c30f9e1 100755 --- a/src/uclchem/reactions.csv +++ b/src/uclchem/reactions.csv @@ -666,11 +666,11 @@ H,H,H2FORM,H2,NAN,NAN,NAN,1.0,0.0,0.0,0.0,10000.0 #H,#HCO,LH,#CO,#H2,NAN,NAN,0.5,0.0,0.0,0.0,10000.0 #H,#CH2OH,LH,#CH3OH,NAN,NAN,NAN,1.0,0.0,0.0,0.0,10000.0 #H,#H2COH,LH,#CH3OH,NAN,NAN,NAN,1.0,0.0,0.0,0.0,10000.0 +#H,#OCN,LH,#HNCO,NAN,NAN,NAN,0.5,0.0,0.0,0.0,10000.0 +#H,#HNCO,LH,#NH2,#CO,NAN,NAN,0.5,0.0,2300.0,0.0,10000.0 #H,#H2CO,LH,#CH2OH,NAN,NAN,NAN,0.33333333333333337,0.0,5400.0,0.0,10000.0 #H,#H2CO,LH,#H2COH,NAN,NAN,NAN,0.33333333333333337,0.0,2200.0,0.0,10000.0 #H,#H2CO,LH,#HCO,#H2,NAN,NAN,0.33333333333333337,0.0,1740.0,0.0,10000.0 -#H,#OCN,LH,#HNCO,NAN,NAN,NAN,1.0,0.0,0.0,0.0,10000.0 -#H,#HNCO,LH,#NH2,#CO,NAN,NAN,1.0,0.0,2300.0,0.0,10000.0 #H2CO,#O,LH,#CO2,H2,NAN,NAN,1.0,0.0,0.0,0.0,10000.0 #HCO,#OH,LH,#HCOOH,NAN,NAN,NAN,1.0,0.0,0.0,0.0,10000.0 #HCS,#H,LH,#H2CS,NAN,NAN,NAN,1.0,0.0,0.0,0.0,10000.0 @@ -712,11 +712,11 @@ H,H,H2FORM,H2,NAN,NAN,NAN,1.0,0.0,0.0,0.0,10000.0 @H,@HCO,LH,@CO,@H2,NAN,NAN,0.5,0.0,0.0,0.0,10000.0 @H,@CH2OH,LH,@CH3OH,NAN,NAN,NAN,1.0,0.0,0.0,0.0,10000.0 @H,@H2COH,LH,@CH3OH,NAN,NAN,NAN,1.0,0.0,0.0,0.0,10000.0 +@H,@OCN,LH,@HNCO,NAN,NAN,NAN,0.5,0.0,0.0,0.0,10000.0 +@H,@HNCO,LH,@NH2,@CO,NAN,NAN,0.5,0.0,2300.0,0.0,10000.0 @H,@H2CO,LH,@CH2OH,NAN,NAN,NAN,0.33333333333333337,0.0,5400.0,0.0,10000.0 @H,@H2CO,LH,@H2COH,NAN,NAN,NAN,0.33333333333333337,0.0,2200.0,0.0,10000.0 @H,@H2CO,LH,@HCO,@H2,NAN,NAN,0.33333333333333337,0.0,1740.0,0.0,10000.0 -@H,@OCN,LH,@HNCO,NAN,NAN,NAN,1.0,0.0,0.0,0.0,10000.0 -@H,@HNCO,LH,@NH2,@CO,NAN,NAN,1.0,0.0,2300.0,0.0,10000.0 @H2CO,@O,LH,@CO2,H2,NAN,NAN,1.0,0.0,0.0,0.0,10000.0 @HCO,@OH,LH,@HCOOH,NAN,NAN,NAN,1.0,0.0,0.0,0.0,10000.0 @HCS,@H,LH,@H2CS,NAN,NAN,NAN,1.0,0.0,0.0,0.0,10000.0 @@ -758,11 +758,11 @@ H,H,H2FORM,H2,NAN,NAN,NAN,1.0,0.0,0.0,0.0,10000.0 #H,#HCO,LHDES,CO,H2,NAN,NAN,0.5,0.0,0.0,0.0,10000.0 #H,#CH2OH,LHDES,CH3OH,NAN,NAN,NAN,1.0,0.0,0.0,0.0,10000.0 #H,#H2COH,LHDES,CH3OH,NAN,NAN,NAN,1.0,0.0,0.0,0.0,10000.0 +#H,#OCN,LHDES,HNCO,NAN,NAN,NAN,0.5,0.0,0.0,0.0,10000.0 +#H,#HNCO,LHDES,NH2,CO,NAN,NAN,0.5,0.0,2300.0,0.0,10000.0 #H,#H2CO,LHDES,CH2OH,NAN,NAN,NAN,0.33333333333333337,0.0,5400.0,0.0,10000.0 #H,#H2CO,LHDES,H2COH,NAN,NAN,NAN,0.33333333333333337,0.0,2200.0,0.0,10000.0 #H,#H2CO,LHDES,HCO,H2,NAN,NAN,0.33333333333333337,0.0,1740.0,0.0,10000.0 -#H,#OCN,LHDES,HNCO,NAN,NAN,NAN,1.0,0.0,0.0,0.0,10000.0 -#H,#HNCO,LHDES,NH2,CO,NAN,NAN,1.0,0.0,2300.0,0.0,10000.0 #H2CO,#O,LHDES,CO2,H2,NAN,NAN,1.0,0.0,0.0,0.0,10000.0 #HCO,#OH,LHDES,HCOOH,NAN,NAN,NAN,1.0,0.0,0.0,0.0,10000.0 #HCS,#H,LHDES,H2CS,NAN,NAN,NAN,1.0,0.0,0.0,0.0,10000.0 @@ -804,11 +804,11 @@ H,H,H2FORM,H2,NAN,NAN,NAN,1.0,0.0,0.0,0.0,10000.0 @H,@HCO,LHDES,CO,H2,NAN,NAN,0.5,0.0,0.0,0.0,10000.0 @H,@CH2OH,LHDES,CH3OH,NAN,NAN,NAN,1.0,0.0,0.0,0.0,10000.0 @H,@H2COH,LHDES,CH3OH,NAN,NAN,NAN,1.0,0.0,0.0,0.0,10000.0 +@H,@OCN,LHDES,HNCO,NAN,NAN,NAN,0.5,0.0,0.0,0.0,10000.0 +@H,@HNCO,LHDES,NH2,CO,NAN,NAN,0.5,0.0,2300.0,0.0,10000.0 @H,@H2CO,LHDES,CH2OH,NAN,NAN,NAN,0.33333333333333337,0.0,5400.0,0.0,10000.0 @H,@H2CO,LHDES,H2COH,NAN,NAN,NAN,0.33333333333333337,0.0,2200.0,0.0,10000.0 @H,@H2CO,LHDES,HCO,H2,NAN,NAN,0.33333333333333337,0.0,1740.0,0.0,10000.0 -@H,@OCN,LHDES,HNCO,NAN,NAN,NAN,1.0,0.0,0.0,0.0,10000.0 -@H,@HNCO,LHDES,NH2,CO,NAN,NAN,1.0,0.0,2300.0,0.0,10000.0 @H2CO,@O,LHDES,CO2,H2,NAN,NAN,1.0,0.0,0.0,0.0,10000.0 @HCO,@OH,LHDES,HCOOH,NAN,NAN,NAN,1.0,0.0,0.0,0.0,10000.0 @HCS,@H,LHDES,H2CS,NAN,NAN,NAN,1.0,0.0,0.0,0.0,10000.0