Squashed 'src/phast/PhreeqcRM/' changes from a731364d..6970571d

6970571d Merge commit '4bd1e7f1be8c85a7c406323f927bfbb71b9a659e' 4bd1e7f1 Squashed 'src/' changes from 6ad69f0b..3e1a6641 8e4edc33 Merge commit 'c54aa7ee33cf26415daf8e19f36e3b531d864b76' c54aa7ee Squashed 'database/' changes from bf60c1ca..4e898381 git-subtree-dir: src/phast/PhreeqcRM git-subtree-split: 6970571d40dccb4ff288956097f276e06c545d16
dlparkhurst · Jan 7, 2025 · 5098247 · 5098247
1 parent cbde109
commit 5098247
Show file tree

Hide file tree

Showing 9 changed files with 28 additions and 19 deletions.
diff --git a/database/Amm.dat b/database/Amm.dat
@@ -1,4 +1,4 @@
-# PHREEQC.DAT for calculating temperature and pressure dependence of reactions, and the specific conductance and viscosity of the solution. Based on:
+# Amm.dat for calculating temperature and pressure dependence of reactions, and the specific conductance and viscosity of the solution. Based on:
 #   diffusion coefficients and molal volumina of aqueous species, solubility and volume of minerals, and critical temperatures and pressures of gases in Peng-Robinson's EOS.
 # Details are given at the end of this file.
 

diff --git a/database/Kinec.v2.dat b/database/Kinec.v2.dat
@@ -1,4 +1,4 @@
-# KINEC.v2.dat - last edited April 18, 2024 by MA and EHO.
+# Kinec.v2.dat - last edited April 18, 2024 by MA and EHO.
 #
 # This database contains the parameters for calculating mineral dissolution rates for primary and secondary silicate minerals using the equations and parameters reported by Hermanska et al. (2022, 2023),
 # and dissolution rates for other non)-silicate mineral systems using the equations and parameters reported by Oelkers and Addassi (2024, in preparation).

diff --git a/database/Kinec_v3.dat b/database/Kinec_v3.dat
@@ -1,4 +1,4 @@
-# KINEC_v3.dat - last edited July 23, 2024 by MA and EHO.
+# Kinec_v3.dat - last edited July 23, 2024 by MA and EHO.
 #
 # This database contains the parameters for calculating mineral dissolution rates for primary and secondary silicate minerals using the equations and parameters reported by Hermanska et al. (2022, 2023),
 # and dissolution rates for other mineral systems using the equations and parameters reported by Oelkers and addassi (2024*).

diff --git a/database/Tipping_Hurley.dat b/database/Tipping_Hurley.dat
@@ -2,7 +2,6 @@
 # Created 17 May 2024 14:30:44
 # c:\3rdParty\lsp\lsp.exe  -f2 -k="asis" -ts "Tipping_Hurley.dat"
 
-#  $Id: wateq4f.dat 6895 2012-08-21 18:10:05Z dlpark $
 # Revised arsenic data from Archer and Nordstrom (2002)
 
 SOLUTION_MASTER_SPECIES

diff --git a/database/phreeqc.dat b/database/phreeqc.dat
@@ -1,8 +1,8 @@
-# File 1 = C:\GitPrograms\phreeqc3-1\database\Amm.dat, 22/05/2024  19:38, 1948 lines, 55817 bytes, md5=78b3659799b73ddca128328b6ee7533b
+# File 1 = C:\GitPrograms\phreeqc3-1\database\phreeqc.dat, 22/05/2024  19:38, 1948 lines, 55817 bytes, md5=78b3659799b73ddca128328b6ee7533b
 # Created 22 May 2024 19:55:37
-# C:\3rdParty\lsp\lsp.exe -f2 -k=asis -ts Amm.dat
+# C:\3rdParty\lsp\lsp.exe -f2 -k=asis -ts phreeqc.dat
 
-# PHREEQC.DAT for calculating temperature and pressure dependence of reactions, and the specific conductance and viscosity of the solution. Based on:
+# phreeqc.dat for calculating temperature and pressure dependence of reactions, and the specific conductance and viscosity of the solution. Based on:
 #   diffusion coefficients and molal volumina of aqueous species, solubility and volume of minerals, and critical temperatures and pressures of gases in Peng-Robinson's EOS.
 # Details are given at the end of this file.
 

diff --git a/database/phreeqc_rates.dat b/database/phreeqc_rates.dat
@@ -1,4 +1,4 @@
-# PHREEQC.DAT for calculating temperature and pressure dependence of reactions, and the specific conductance and viscosity of the solution. Augmented with kinetic rates for minerals from compilations. Based on:
+# phreeqc_rates.dat for calculating temperature and pressure dependence of reactions, and the specific conductance and viscosity of the solution. Augmented with kinetic rates for minerals from compilations. Based on:
 #   diffusion coefficients and molal volumina of aqueous species, solubility and volume of minerals, and critical temperatures and pressures of gases in Peng-Robinson's EOS.
 # Details are given at the end of this file.
 

diff --git a/database/pitzer.dat b/database/pitzer.dat
@@ -1,4 +1,4 @@
-# Pitzer.DAT for calculating temperature and pressure dependence of reactions, and the specific conductance and viscosity of the solution, using
+# pitzer.dat for calculating temperature and pressure dependence of reactions, and the specific conductance and viscosity of the solution, using
 #   diffusion coefficients of species, molal volumina of aqueous species and minerals, and critical temperatures and pressures of gases used in Peng-Robinson's EOS.
 # Details are given at the end of this file.
 

diff --git a/src/IPhreeqcPhast/IPhreeqc/phreeqcpp/mainsubs.cpp b/src/IPhreeqcPhast/IPhreeqc/phreeqcpp/mainsubs.cpp
@@ -681,9 +681,15 @@ initial_gas_phases(int print)
 			if (pr.user_print)
 				print_user_print();
 			if (PR /*&& use.Get_gas_phase_ptr()->total_p > 1.0*/)
- 				warning_msg("While initializing gas phase composition by equilibrating:\n"
-				"         Found definitions of gas` critical temperature and pressure.\n"
-				"         Going to use Peng-Robinson in subsequent calculations.\n");
+			{
+				std::ostringstream msg;
+				msg << "\nWhile initializing gas phase composition by equilibrating:\n";
+				msg << "     Found definitions of gas critical temperature and pressure.\n";
+				msg << "     Going to use Peng-Robinson in subsequent calculations.\n";
+				screen_msg(msg.str().c_str());
+				output_msg(msg.str().c_str());
+				log_msg(msg.str().c_str());
+			}
 			xgas_save(n_user);
 			punch_all();
 			/* free_model_allocs(); */

diff --git a/src/IPhreeqcPhast/IPhreeqc/phreeqcpp/transport.cpp b/src/IPhreeqcPhast/IPhreeqc/phreeqcpp/transport.cpp
@@ -508,13 +508,17 @@ transport(void)
 		/*
 		* Now transport
 		*/
-		if (implicit)
-			snprintf(token, sizeof(token), "\nCalculating implicit transport: %d (mobile) cells, %d shifts, %d mixruns, max. mixf = %g.\n\n",
-				count_cells, count_shifts - transport_start + 1, nmix, max_mixf);
-		else
-			snprintf(token, sizeof(token), "\nCalculating transport: %d (mobile) cells, %d shifts, %d mixruns...\n\n",
-				count_cells, count_shifts - transport_start + 1, nmix);
-		warning_msg(token);
+		{
+			if (implicit)
+				snprintf(token, sizeof(token), "\nCalculating implicit transport: %d (mobile) cells, %d shifts, %d mixruns, max. mixf = %g.\n\n",
+					count_cells, count_shifts - transport_start + 1, nmix, max_mixf);
+			else
+				snprintf(token, sizeof(token), "\nCalculating transport: %d (mobile) cells, %d shifts, %d mixruns...\n\n",
+					count_cells, count_shifts - transport_start + 1, nmix);
+			screen_msg(token);
+			output_msg(token);
+			log_msg(token);
+		}
 		max_iter = 0;
 		for (transport_step = transport_start; transport_step <= count_shifts;
 			transport_step++)