Merge pull request #84 from dlparkhurst/mix_error

Mix error

Author: scharlton2

doc/RELEASE.TXT

@@ -1,11 +1,18 @@
 Version @PHREEQC_VER@: @PHREEQC_DATE@
+	-----------------
+	November 15, 2024
+	-----------------
+	PhreeqcRM: Fixed a bug when the diffuse-layer disappeared in a PhreeqcRM calculation
+	with a Runge-Kutta integration and the rate went to zero. The error produced charge 
+	imbalance because the surface transformed to a no-EDL surface; charge accumulated
+	on the surface and was balanced by an opposite charge imbalance in the solution. 
 
 	-----------------
 	November 13, 2024
 	-----------------
 	PHREEQCI: Resolved a bug that caused a buffer overflow and led to PHREEQCI
 	freezing when loaded under the Simplified Chinese locale.
-
+	
 	-----------------
 	November 11, 2024
 	-----------------
@@ -29,8 +36,8 @@ Version @PHREEQC_VER@: @PHREEQC_DATE@
 	-----------------
 	November 7, 2024
 	-----------------
-	PhreeqcRM: Fixed a bug when multiple PhreeqcRM instances were created with 
-	debug compilation. Some debugging code caused a failure if the instances did
+	PhreeqcRM: Fixed a bug when multiple PhreeqcRM instances were created in Fortran
+	with debug compilation. Some debugging code caused a failure if the instances did
 	not have the same number of cells. 
 
 	-----------------

mytest/CMakeLists.txt

@@ -102,6 +102,7 @@ set(TESTS
   diff_c
   dissolve_only
   dist_x
+  dl_type_error
   donly
   DonnanBug
   dump_test

mytest/dl_type_error

@@ -0,0 +1,49 @@
+DATABASE ../database/phreeqc.dat
+SELECTED_OUTPUT 101
+	file                dl_type_error.sel
+USER_PUNCH 101
+	headings Mu SC
+	start
+10 PUNCH STR_F$(MU, 20, 12)
+20 PUNCH STR_F$(SC, 20, 10)
+	end
+RATES
+Decay
+-start
+40 SAVE moles
+-end
+SOLUTION
+-units mol/kgw
+pH 8
+Na 1
+P  1 charge
+Si 1e-10
+END
+SURFACE
+Hfo_w 0.1 1 600
+-donnan
+END
+KINETICS
+Decay
+-m 1
+-formula Si -1
+-steps 10 
+-rk 1
+END
+USER_GRAPH 1
+    -headings               time Si Charge
+    -axis_titles            "Time, seconds" "Molality" "Charge balance, equivalents"
+    -axis_scale y_axis      auto auto auto auto 
+    -initial_solutions      false
+    -connect_simulations    true
+    -plot_concentration_vs  x
+  -start
+10 GRAPH_X TOTAL_TIME
+20 GRAPH_Y log10(TOT("Si"))
+30 GRAPH_SY CHARGE_BALANCE
+  -end
+    -active                 true
+END
+RUN_CELLS
+-cell 1
+END