Small last additions to makerates

uclchem · Oct 14, 2024 · 347b4f5 · 347b4f5
1 parent 9ebda25
commit 347b4f5
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Showing 7 changed files with 109 additions and 104 deletions.
diff --git 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&