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added ieee test

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git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@7213 1feff8c3-07ed-0310-ac33-dd36852eb9cd
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PHASES
Fix_H+; H+ = H+; log_k 0
SELECTED_OUTPUT
-reset false
USER_PUNCH
-heading pH logfO2 pe Ast
10 PUNCH -la("H+"), SI("O2(g)"), -la("e-"), log10(TOT("As"))
-end
include$ cdmusic_hiemstra.dat # CD-MUSIC database, resets convergence criterion
SOLUTION 1 # initial solution calculation
Temp 20
## pH 1.8
pH 1.8
units mol/kgw
Fe(2) 3.5e-1 # total concns
As 1e-2
S(6) 1e-2 # sulphide minerals can form but not adsorb
Na 1e-1
Cl 8e-1 charge
END
# simulation 2
USE solution 1
EQUILIBRIUM_PHASES 1
Fix_H+ -8.4 NaOH
-force_equality true
O2(g) -72.0
CO2(g) -3.5 10
As_native 0 0
Orpiment 0 0
Realgar 0 0
As2S3(am) 0 0
Pyrite 0 0
Arsenolite 0 0
Claudetite 0 0
Mackinawite 0 0
FeS(ppt) 0 0
Sulfur 0 0
Fe(OH)3(a) 0 0
Greigite 0 0
Scorodite 0 0
Mirabilite 0 0
Melanterite 0 0
Thenardite 0 0
As2O5(cr) 0 0
Jarosite-Na 0 0
JarositeH 0 0
Goethite 0 0
# Magnetite 0 0
SURFACE 1
Goe_uniOH1.5 Goethite 0.049886874 8707.79 # 3.5 sites/nm2, 98 m2/g, MWt = 88.855 g/mol
Goe_triOH0.5 Goethite 0.039041901 8707.79 # 2.7 sites/nm2
-cd_music
-cap 0.85 0.75 # C1 C2 (in F/m2)
-equil 1
END

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========================================================================
Fortran Console Application : "test_ieee" Project Overview
========================================================================
The Intel Fortran Console Application Wizard has created this
"test_ieee" project for you as a starting point.
This file contains a summary of what you will find in each of the files
that make up your project.
test_ieee.vfproj
This is the main project file for Fortran projects generated using an
Application Wizard. It contains information about the version of
Intel Fortran that generated the file, and information about the
platforms, configurations, and project features selected with the
Application Wizard.
test_ieee.f90
This is the main source file for the Fortran Console application.
It contains the program entry point.
/////////////////////////////////////////////////////////////////////////////
Other notes:
/////////////////////////////////////////////////////////////////////////////

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# September 2006 - original design by David Parkhurst
# 19 February 2010 - additions by David Kinniburgh
# 13 December 2010 - reformulate in terms of uncharged surface master species
# this avoids the undesirable addition/removal of charge when adding/removing a surface
# thanks to Tony Appelo for pointing this out.
# This database is a temporary database until such time that a critically-assessed database is compiled.
# It is based solely on the published work of Hiemstra, van Riemsdijk and co-workers.
# So far, it only contains data for goethite and to a lesser extent ferrihydrite
# Goethite
# HR1999: Hiemstra T, van Riemsdijk, WH. J Colloid Interface Sci 210, 182-193 (1999)
# HR2000: Hiemstra T, van Riemsdijk, WH. J Colloid Interface Sci 225, 94-104 (2000)
# HRR2004: Hiemstra T, Rahnemaie R, van Riemsdijk, WH. J Colloid Interface Sci 278, 282-290 (2004)
# WKHMR2005: Weng LP, van Riemsdijk WH, Koopal LK, Geochim Cosmochim Acta 69, 325-339 (2005)
# WRKH2006: Weng LP, van Riemsdijk WH, Koopal LK, Hiemstra T. J Colloid Interface Sci 302, 442-457 (2006)
# RHR2006a: Rahnemaie R, Hiemstra T, van Riemsdijk, WH. J Colloid Interface Sci 293, 312-321 (2006)
# RHR2006b: Rahnemaie R, Hiemstra T, van Riemsdijk, WH. J Colloid Interface Sci 297, 379-388 (2006)
# HR2006: Hiemstra T, van Riemsdijk WH. J Colloid Interface Sci 301, 1-18 (2006)
# SHR2006: Stachowicz M, Hiemstra T, van Riemsdijk, WH. J Colloid Interface Sci 302, 62-75 (2006)
# RHR2007a: Rahnemaie R, Hiemstra T, van Riemsdijk, WH. J Colloid Interface Sci 315, 415-425 (2007)
# RHR2007b: Rahnemaie R, Hiemstra T, van Riemsdijk, WH. Langmuir 23, 3680-3689 (2007)
# HBR2007: Hiemstra T, Barnett MO, van Riemsdijk, WH. J Colloid Interface Sci 310, 8-17 (2007)
# HRR2007: Hiemstra T, Rietra RPJJ, van Riemsdijk, WH. Croatica Chemica Acta 80, 313-324 (2007)
# SHR2007: Stachowicz M, Hiemstra T, van Riemsdijk, WH. Envtl Sci Technol 41, 5620-5625 (2007)
# WRH2007: Weng LP, van Riemsdijk WH, Hiemstra T. J Colloid Interface Sci 314, 107-118 (2007)
# SHR2008: Stachowicz M, Hiemstra T, van Riemsdijk, WH. J Colloid Interface Sci 320, 400-414 (2008)
# WRH2008a: Weng LP, van Riemsdijk WH, Hiemstra T. Geochim Cosmochim Acta 72, 5857-5870 (2008)
# WRH2008b: Weng LP, van Riemsdijk WH, Hiemstra T. Envtl Sci Technol 42, 8747-8752 (2008)
# NB There is no guarantee that the following data are internally consistent, or are consistent with the
# aqueous database that you use.
# Refer to the original papers for the associated aqueous model.
# this formulation in terms of uncharged surface master species makes convergence slightly more difficult than
# the charged formulation...
# and so we relax the convergence criterion - reduce it if necessary
KNOBS
-c 1e-8 # this can help convergence with this master species but make sure SELECTED_OUTPUT<CR> -high_precision false
SOLUTION_MASTER_SPECIES
[N5] [N5]O3- 0 14 14
Perchlorate Perchlorate- 0 35 35
SOLUTION_SPECIES
[N5]O3- = [N5]O3-
log_k 0
Perchlorate- = Perchlorate-
log_k 0
# Goethite
SURFACE_MASTER_SPECIES
## Goe_uni Goe_uniOH-0.5
## Goe_tri Goe_triO-0.5
Goe_uni Goe_uniOH1.5 # PHREEQC needs a neutral species for coupling
Goe_tri Goe_triOH0.5 # surface sites and for changing goethite concentrations
SURFACE_SPECIES
#
# Fe3-O sites
#
## Goe_triO-0.5 = Goe_triO-0.5
## -cd_music 0 0 0 0 0
## log_k 0
Goe_triOH0.5 = Goe_triOH0.5
-cd_music 0 0 0 0 0
log_k 0
Goe_triOH0.5 = Goe_triO-0.5 + 0.5H+
-cd_music -0.5 0 0 0 0
log_k 10 # make Goe_triOH0.5 a negligible species - small but not too small!
Goe_triO-0.5 + H+ = Goe_triOH+0.5
-cd_music 1 0 0 0 0
log_k 9.20 # SHR2008
Goe_triO-0.5 + Li+ = Goe_triOLi+0.5
-cd_music 0 1 0 0 0
log_k 0.10 # HR2006, SHR2008
Goe_triO-0.5 + Na+ = Goe_triONa+0.5
-cd_music 0 1 0 0 0
log_k -0.60 # HR2006, SHR2008
Goe_triO-0.5 + K+ = Goe_triOK+0.5
-cd_music 0 1 0 0 0
log_k -1.61 # HR2006
Goe_triO-0.5 + H+ + NO3- = Goe_triOHNO3-0.5
-cd_music 1 -1 0 0 0
log_k 8.52 # HR2006a = 9.20 + (-0.68), SHR2008
Goe_triO-0.5 + H+ + [N5]O3- = Goe_triOH[N5]O3-0.5
-cd_music 1 -1 0 0 0
log_k 8.52 # HR2006a = 9.20 + (-0.68), SHR2008
Goe_triO-0.5 + H+ + Cl- = Goe_triOHCl-0.5
-cd_music 1 -1 0 0 0
log_k 8.75 # HR2006a = 9.20 + (-0.45)
#
# Fe-O sites
#
## Goe_uniOH-0.5 = Goe_uniOH-0.5
## -cd_music 0 0 0 0 0
## log_k 0
Goe_uniOH1.5 = Goe_uniOH1.5
-cd_music 0 0 0 0 0
log_k 0
Goe_uniOH1.5 = Goe_uniOH-0.5 + 0.5H+
-cd_music -0.5 0 0 0 0
log_k 10 # make Goe_uniOH1.5 a negligible species - small but not too small!
Goe_uniOH-0.5 + H+ = Goe_uniOH2+0.5
-cd_music 1 0 0 0 0
log_k 9.20 # SHR2008
Goe_uniOH-0.5 + Li+ = Goe_uniOHLi+0.5
-cd_music 0 1 0 0 0
log_k 0.10 # HR2006, SHR2008
Goe_uniOH-0.5 + Na+ = Goe_uniOHNa+0.5
-cd_music 0 1 0 0 0
log_k -0.60 # HR2006, SHR2008
Goe_uniOH-0.5 + K+ = Goe_uniOHK+0.5
-cd_music 0 1 0 0 0
log_k -1.61 # HR2006
Goe_uniOH-0.5 + H+ + NO3- = Goe_uniOH2NO3-0.5
-cd_music 1 -1 0 0 0
log_k 8.52 # HR2006a = 9.20 + (-0.68), SHR2008
Goe_uniOH-0.5 + H+ + [N5]O3- = Goe_uniOH2[N5]O3-0.5
-cd_music 1 -1 0 0 0
log_k 8.52 # HR2006a = 9.20 + (-0.68), SHR2008
Goe_uniOH-0.5 + H+ + Cl- = Goe_uniOH2Cl-0.5
-cd_music 1 -1 0 0 0
log_k 8.75 # HR2006a = 9.20 + (-0.45)
#
# Cations
#
# Iron
# Ferrous
# 2Goe_uniOH-0.5 + Fe+2 = (Goe_uniOH)2Fe+1
# log_k 8.47
# -cd_music 0.73 1.27 0 0 0
# Ferrous with surface oxidation to ferric
# 2Goe_uniOH-0.5 + Fe+2 + 2H2O = (Goe_uniOH)2Fe(OH)2-1 + 2H+
# log_k -9.31
# -cd_music 0.17 -0.17 0 0 0
# Ferrous-arsenite surface complex
# Goe_uniOH-0.5 + Fe+2 + H3AsO3 = Goe_uniOAs(OH)3Fe+0.5 + H+
# log_k 3.35
# -cd_music 0.08 0.92 0 0 0
# Calcium
Goe_uniOH-0.5 + Ca+2 = Goe_uniOHCa+1.5
log_k 2.85 # SHR2008 2.93 WRH2008a
-cd_music 0.0 2.0 0 0 0
Goe_triO-0.5 + Ca+2 = Goe_triOCa+1.5
log_k 2.85 # SHR2008 2.93 WRH2008a
-cd_music 0.0 2.0 0 0 0
Goe_uniOH-0.5 + Ca+2 = Goe_uniOHCa+1.5
log_k 3.69 # SHR2008 3.66 WRH2008a
-cd_music 0.32 1.68 0 0 0
Goe_uniOH-0.5 + Ca+2 + H2O = Goe_uniOHCaOH+0.5 + H+
log_k -9.17 # SHR2008 -9.21 WRH2008a
-cd_music 0.32 0.68 0 0 0
# Magnesium
2Goe_uniOH-0.5 + Mg+2 = (Goe_uniOH)2Mg+1
log_k 4.89 # SHR2008
-cd_music 0.71 1.29 0 0 0
2Goe_uniOH-0.5 + Mg+2 + H2O = (Goe_uniOH)2MgOH + H+
log_k -6.44 # SHR2008
-cd_music 0.71 0.29 0 0 0
# Copper
2Goe_uniOH-0.5 + Cu+2 = (Goe_uniOH)2Cu+1
log_k 9.18 # WRH2008
-cd_music 0.84 1.16 0 0 0
2Goe_uniOH-0.5 + Cu+2 + H2O = (Goe_uniOH)2CuOH + H+
log_k 3.60 # WRH2008a
-cd_music 0.84 0.16 0 0 0
2Goe_uniOH-0.5 + 2Cu+2 + 2H2O = (Goe_uniOH)2Cu2(OH)2+1 + 2H+
log_k 3.65 # WRH2008a
-cd_music 0.84 1.16 0 0 0
2Goe_uniOH-0.5 + 2Cu+2 + 3H2O = (Goe_uniOH)2Cu2(OH)3 + 3H+
log_k -3.10 # WRH2008a
-cd_music 0.84 0.16 0 0 0
#
# Anions
#
#
# Arsenate
#
Goe_uniOH-0.5 + 2H+ + AsO4-3 = Goe_uniOAsO2OH-1.5 + H2O
log_k 26.60 # SHR2008
-cd_music 0.30 -1.30 0 0 0
2Goe_uniOH-0.5 + 2H+ + AsO4-3 = (Goe_uniO)2AsO2-2 + 2H2O
log_k 29.77 # SHR2008
-cd_music 0.47 -1.47 0 0 0
2Goe_uniOH-0.5 + 3H+ + AsO4-3 = (Goe_uniO)2AsOOH- + 2H2O
log_k 33.00 # SHR2008
-cd_music 0.58 -0.58 0 0 0
#
# Arsenite
#
Goe_uniOH-0.5 + H3AsO3 = Goe_uniOAs(OH)2-0.5 + H2O
log_k 4.91 # SHR2008
-cd_music 0.16 -0.16 0 0 0
2Goe_uniOH-0.5 + H3AsO3 = (Goe_uniO)2AsOH-1 + 2H2O
log_k 7.26 # SHR2008
-cd_music 0.34 -0.34 0 0 0
#
# Phosphate
#
Goe_uniOH-0.5 + 2H+ + PO4-3 = Goe_uniOPO2OH-1.5 + H2O
log_k 27.65 # SHR2008
-cd_music 0.28 -1.28 0 0 0
2Goe_uniOH-0.5 + 2H+ + PO4-3 = (Goe_uniO)2PO2-2 + 2H2O
log_k 29.77 # SHR2008
-cd_music 0.46 -1.46 0 0 0
# 2Goe_uniOH-0.5 + 2H+ + PO4-3 + H+ = (Goe_uniO)2POOH- + 2H2O
# log_k 35.4 # SHR2008
# -cd_music 0.58 -0.58 0 0 0
#
# Carbonate
#
2Goe_uniOH-0.5 + 2H+ + CO3-2 = (Goe_uniO)2CO- + 2H2O
log_k 22.33 # SHR2008
-cd_music 0.68 -0.68 0 0 0
#
# Sulphate
#
Goe_uniOH-0.5 + H+ + SO4-2 = Goe_uniOSO3-1.5 + H2O
log_k 9.37 # HR2006
-cd_music 0.5 -1.5 0 0 0
Goe_uniOH-0.5 + H+ + SO4-2 = Goe_uniOSO3-1.5 + H2O
log_k 11.06 # HR2006
-cd_music 1 -1.84 -0.16 0 0
#
# Silica
#
2Goe_uniOH-0.5 + H4SiO4 = (Goe_uniO)2Si(OH)2-1 + 2H2O
log_k 5.85 # HBR2007
-cd_music 0.29 -0.29 0 0 0
2Goe_uniOH-0.5 + 4H4SiO4 = (Goe_uniO)2SiOHOSi3O2(OH)7-1 + 5H2O
log_k 13.98 # HBR2007
-cd_music 0.29 -0.29 0 0 0
2Goe_uniOH-0.5 + 4H4SiO4 = (Goe_uniO)2SiOHOSi3O3(OH)6-2 + 5H2O + H+
log_k 7.47 # HBR2007
-cd_music 0.29 -1.29 0 0 0
###################################################################################################
#
# Ferrihydrite (Fhy)
#
# HvR2009: Hiemstra & van Riemsdijk (2009) Geochim. Cosmochim. Acta 73, 4423-4436.
# HvRRU2009: Hiemstra et al. (2009) Geochim. Cosmochim. Acta 73, 4437-4451.
# The U sorption is sensitive to the aqueous U database used. See HvRRU2009, Table A1.
# The aqueous model used by Hiemstra et al. here is consistent with the NEA database:
# http://migrationdb.jaea.go.jp/tdb_e/d_page_e/d_0500_e.html
SURFACE_MASTER_SPECIES
## Fhy_unie Fhy_unieOH-0.5
## Fhy_unic Fhy_unicOH-0.5
## Fhy_tri Fhy_triO-0.5
Fhy_unie Fhy_unieOH1.5
Fhy_unic Fhy_unicOH1.5
Fhy_tri Fhy_triOH0.5
SURFACE_SPECIES
#
# Fe3-O sites
#
## Fhy_triO-0.5 = Fhy_triO-0.5
## -cd_music 0 0 0 0 0
## log_k 0
Fhy_triOH0.5 = Fhy_triOH0.5
-cd_music 0 0 0 0 0
log_k 0
Fhy_triOH0.5 = Fhy_triO-0.5 + 0.5H+
-cd_music -0.5 0 0 0 0
log_k 10 # make neglible
Fhy_triO-0.5 + H+ = Fhy_triOH+0.5
-cd_music 1 0 0 0 0
log_k 8.06 #HvR2009
Fhy_triO-0.5 + Na+ = Fhy_triONa+0.5
-cd_music 0 1 0 0 0
log_k -0.60 #HvR2009
Fhy_triO-0.5 + H+ + NO3- = Fhy_triOHNO3-0.5
-cd_music 1 -1 0 0 0
log_k 7.38 #HvR2009
Fhy_triO-0.5 + H+ + [N5]O3- = Fhy_triOH[N5]O3-0.5
-cd_music 1 -1 0 0 0
log_k 7.38 #HvR2009
Fhy_triO-0.5 + H+ + Cl- = Fhy_triOHCl-0.5
-cd_music 1 -1 0 0 0
log_k 7.61 #HvR2009
Fhy_triO-0.5 + H+ + Perchlorate- = Fhy_triOHPerchlorate-0.5
-cd_music 1 -1 0 0 0
log_k 6.36 #HvR2009
#
# Fe-Oa sites (edge sharing)
#
## Fhy_unieOH-0.5 = Fhy_unieOH-0.5
## -cd_music 0 0 0 0 0
## log_k 0
Fhy_unieOH1.5 = Fhy_unieOH1.5
-cd_music 0 0 0 0 0
log_k 0
Fhy_unieOH1.5 = Fhy_unieOH-0.5 + 0.5H+
-cd_music -0.5 0 0 0 0
log_k 10 # make negligible
Fhy_unieOH-0.5 + H+ = Fhy_unieOH2+0.5
-cd_music 1 0 0 0 0
log_k 8.06 #HvR2009
Fhy_unieOH-0.5 + Na+ = Fhy_unieOHNa+0.5
-cd_music 0 1 0 0 0
log_k -0.60 #HvR2009
Fhy_unieOH-0.5 + H+ + NO3- = Fhy_unieOH2NO3-0.5
-cd_music 1 -1 0 0 0
log_k 7.38 #HvR2009
Fhy_unieOH-0.5 + H+ + [N5]O3- = Fhy_unieOH2[N5]O3-0.5
-cd_music 1 -1 0 0 0
log_k 7.38 #HvR2009
Fhy_unieOH-0.5 + H+ + Cl- = Fhy_unieOH2Cl-0.5
-cd_music 1 -1 0 0 0
log_k 7.61 #HvR2009
Fhy_unieOH-0.5 + H+ + Perchlorate- = Fhy_unieOH2Perchlorate-0.5
-cd_music 1 -1 0 0 0
log_k 6.36 #HvR2009
#
# Fe-Ob sites (double corner sharing)
#
## Fhy_unicOH-0.5 = Fhy_unicOH-0.5
## -cd_music 0 0 0 0 0
## log_k 0
Fhy_unicOH1.5 = Fhy_unicOH1.5
-cd_music 0 0 0 0 0
log_k 0
Fhy_unicOH1.5 = Fhy_unicOH-0.5 + 0.5H+
-cd_music -0.5 0 0 0 0
log_k 10 # make neglible
Fhy_unicOH-0.5 + H+ = Fhy_unicOH2+0.5
-cd_music 1 0 0 0 0
log_k 8.06 #HvR2009
Fhy_unicOH-0.5 + Na+ = Fhy_unicOHNa+0.5
-cd_music 0 1 0 0 0
log_k -0.60 #HvR2009
Fhy_unicOH-0.5 + H+ + NO3- = Fhy_unicOH2NO3-0.5
-cd_music 1 -1 0 0 0
log_k 7.38 #HvR2009
Fhy_unicOH-0.5 + H+ + [N5]O3- = Fhy_unicOH2[N5]O3-0.5
-cd_music 1 -1 0 0 0
log_k 7.38 #HvR2009
Fhy_unicOH-0.5 + H+ + Cl- = Fhy_unicOH2Cl-0.5
-cd_music 1 -1 0 0 0
log_k 7.61 #HvR2009
Fhy_unicOH-0.5 + H+ + Perchlorate- = Fhy_unicOH2Perchlorate-0.5
-cd_music 1 -1 0 0 0
log_k 6.36 #HvR2009
# Carbonate
2Fhy_unicOH-0.5 + 2H+ + CO3-2 = Fhy_unic2O2CO- + 2H2O
-cd_music 0.62 -0.62 0 0 0
log_k 21.50 #HvRRU2009
# Uranium and carbonate
2Fhy_unieOH-0.5 + UO2+2 = Fhy_unie2(OH)2UO2+
-cd_music 0.9 1.1 0 0 0
log_k 9.0 #HvRRU2009
2Fhy_unieOH-0.5 + UO2+2 + H2O = Fhy_unie2(OH)2UO2OH + H+
-cd_music 0.9 0.1 0 0 0
log_k 3.30 #HvRRU2009
2Fhy_unieOH-0.5 + UO2+2 + 2H2O = Fhy_unie2(OH)2UO2(OH)2- + 2H+
-cd_music 0.9 -0.9 0 0 0
log_k -5.3 #HvRRU2009
2Fhy_unieOH-0.5 + UO2+2 + CO3-2 + H2O = Fhy_unie2(OH)2UO2CO3(OH)-2 + H+
-cd_music 0.9 -1.9 0 0 0
log_k 10.49 #HvRRU2009
Fhy_unicOH-0.5 + UO2+2 + 3CO3-2 + H+ = Fhy_unic(OCO2)UO2(CO3)2-3.5 + H2O
-cd_music 0.33 -3.33 0 0 0
log_k 36.63 #HvRRU2009
Fhy_unieOH-0.5 + UO2+2 + 3CO3-2 + H+ = Fhy_unie(OCO2)UO2(CO3)2-3.5 + H2O
-cd_music 0.33 -3.33 0 0 0
log_k 36.63 #HvRRU2009
2Fhy_unieOH-0.5 + 3UO2+2 + 6H2O = Fhy_unie2(OH)2(UO2)3(OH)6- + 6H+
-cd_music 0.9 -0.9 0 0 0
log_k -15.8 #HvRRU2009
2Fhy_unieOH-0.5 + 3UO2+2 + CO3-2 + 3H2O = Fhy_unie2(OH)2(UO2)3(OH)3CO3 + 3H+
-cd_music 0.9 0.1 0 0 0
log_k 14.6 #HvRRU2009

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! test_ieee.f90
!
! FUNCTIONS:
! test_ieee - Entry point of console application.
!
!****************************************************************************
!
! PROGRAM: test_ieee
!
! PURPOSE: Entry point for the console application.
!
!****************************************************************************
program test_ieee
implicit none
INCLUDE "IPhreeqc.f90.inc"
! Variables
INTEGER(KIND=4) id
INTEGER(KIND=4) nerr
INTEGER(KIND=4) r
INTEGER(KIND=4) c
INTEGER(KIND=4) t
REAL(KIND=8) d
CHARACTER(LEN=80) s
! Body of test_ieee
id = CreateIPhreeqc()
nerr = SetSelectedOutputFileOn(id,.TRUE.)
nerr = SetOutputFileOn(id,.TRUE.)
nerr = SetDumpFileOn(id,.TRUE.)
nerr = SetErrorFileOn(id,.TRUE.)
nerr = SetLogFileOn(id,.TRUE.)
nerr = LoadDatabase(id,'wateq4f.dat')
IF (nerr.NE.0) THEN
CALL OutputErrorString(id)
STOP
ENDIF
nerr = RunFile(id,'IEEE')
IF (nerr.NE.0) THEN
CALL OutputErrorString(id)
STOP
ENDIF
DO r=0,GetSelectedOutputRowCount(id)
DO c=1,GetSelectedOutputColumnCount(id)
IF (GetSelectedOutputValue(id,r,c,t,d,s).NE.IPQ_OK) THEN
CALL OutputErrorString(id)
STOP
END IF
END DO
END DO
nerr = DestroyIPhreeqc(id)
IF (nerr.NE.0) THEN
CALL OutputErrorString(id)
STOP
ENDIF
PRINT *, 'ok'
end program test_ieee

53
test_ieee/test_ieee.vfproj Normal file
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@ -0,0 +1,53 @@
<?xml version="1.0" encoding="UTF-8"?>
<VisualStudioProject ProjectCreator="Intel Fortran" Keyword="Console Application" Version="11.0" ProjectIdGuid="{394DE624-D3B7-4C26-BFCA-DC9549AB0350}">
<Platforms>
<Platform Name="Win32"/>
<Platform Name="x64"/></Platforms>
<Configurations>
<Configuration Name="Debug|Win32">
<Tool Name="VFFortranCompilerTool" SuppressStartupBanner="true" DebugInformationFormat="debugEnabled" Optimization="optimizeDisabled" AdditionalIncludeDirectories="../src" Interfaces="true" WarnInterfaces="true" Traceback="true" BoundsCheck="true" RuntimeLibrary="rtMultiThreadedDebug"/>
<Tool Name="VFLinkerTool" LinkIncremental="linkIncrementalNo" SuppressStartupBanner="true" AdditionalLibraryDirectories="../lib" GenerateDebugInformation="true" SubSystem="subSystemConsole" AdditionalDependencies="IPhreeqcd.lib"/>
<Tool Name="VFResourceCompilerTool"/>
<Tool Name="VFMidlTool" SuppressStartupBanner="true"/>
<Tool Name="VFCustomBuildTool"/>
<Tool Name="VFPreLinkEventTool"/>
<Tool Name="VFPreBuildEventTool"/>
<Tool Name="VFPostBuildEventTool"/>
<Tool Name="VFManifestTool" SuppressStartupBanner="true"/></Configuration>
<Configuration Name="Release|Win32">
<Tool Name="VFFortranCompilerTool" SuppressStartupBanner="true" AdditionalIncludeDirectories="../src"/>
<Tool Name="VFLinkerTool" LinkIncremental="linkIncrementalNo" SuppressStartupBanner="true" AdditionalLibraryDirectories="../lib" SubSystem="subSystemConsole" AdditionalDependencies="IPhreeqc.lib"/>
<Tool Name="VFResourceCompilerTool"/>
<Tool Name="VFMidlTool" SuppressStartupBanner="true"/>
<Tool Name="VFCustomBuildTool"/>
<Tool Name="VFPreLinkEventTool"/>
<Tool Name="VFPreBuildEventTool"/>
<Tool Name="VFPostBuildEventTool"/>
<Tool Name="VFManifestTool" SuppressStartupBanner="true"/></Configuration>
<Configuration Name="Debug|x64">
<Tool Name="VFFortranCompilerTool" SuppressStartupBanner="true" DebugInformationFormat="debugEnabled" Optimization="optimizeDisabled" AdditionalIncludeDirectories="../src" Interfaces="true" WarnInterfaces="true" Traceback="true" BoundsCheck="true" RuntimeLibrary="rtMultiThreadedDebug"/>
<Tool Name="VFLinkerTool" LinkIncremental="linkIncrementalNo" SuppressStartupBanner="true" AdditionalLibraryDirectories="../libx64" GenerateDebugInformation="true" SubSystem="subSystemConsole" AdditionalDependencies="IPhreeqcd.lib"/>
<Tool Name="VFResourceCompilerTool"/>
<Tool Name="VFMidlTool" SuppressStartupBanner="true" TargetEnvironment="midlTargetAMD64"/>
<Tool Name="VFCustomBuildTool"/>
<Tool Name="VFPreLinkEventTool"/>
<Tool Name="VFPreBuildEventTool"/>
<Tool Name="VFPostBuildEventTool"/>
<Tool Name="VFManifestTool" SuppressStartupBanner="true"/></Configuration>
<Configuration Name="Release|x64">
<Tool Name="VFFortranCompilerTool" SuppressStartupBanner="true" AdditionalIncludeDirectories="../src"/>
<Tool Name="VFLinkerTool" LinkIncremental="linkIncrementalNo" SuppressStartupBanner="true" AdditionalLibraryDirectories="../libx64" SubSystem="subSystemConsole" AdditionalDependencies="IPhreeqc.lib"/>
<Tool Name="VFResourceCompilerTool"/>
<Tool Name="VFMidlTool" SuppressStartupBanner="true" TargetEnvironment="midlTargetAMD64"/>
<Tool Name="VFCustomBuildTool"/>
<Tool Name="VFPreLinkEventTool"/>
<Tool Name="VFPreBuildEventTool"/>
<Tool Name="VFPostBuildEventTool"/>
<Tool Name="VFManifestTool" SuppressStartupBanner="true"/></Configuration></Configurations>
<Files>
<Filter Name="Header Files" Filter="fi;fd"/>
<Filter Name="Resource Files" Filter="rc;ico;cur;bmp;dlg;rc2;rct;bin;rgs;gif;jpg;jpeg;jpe"/>
<Filter Name="Source Files" Filter="f90;for;f;fpp;ftn;def;odl;idl">
<File RelativePath=".\test_ieee.f90"/></Filter>
<File RelativePath=".\ReadMe.txt"/></Files>
<Globals/></VisualStudioProject>

3846
test_ieee/wateq4f.dat Normal file
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