mirror of
https://git.gfz-potsdam.de/naaice/iphreeqc.git
synced 2025-12-16 16:44:49 +01:00
Rearranging IPhreeqc
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@4108 1feff8c3-07ed-0310-ac33-dd36852eb9cd
This commit is contained in:
Scott R Charlton
parent
44b93e6a6e
commit
6546b94c28
19
test2/CO2test
Normal file
19
test2/CO2test
Normal file
@ -0,0 +1,19 @@
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SELECTED_OUTPUT
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-reset false
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pH true
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SOLUTION 1
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units mol/kgw
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Na 0.1
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Cl 0.1
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USER_PUNCH
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-headings Ca name type conc etc
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## -headings Ca name type conc etc etc1 etc2 etc3 etc4 etc5 etc6 etc7 etc8 etc9 etc10 #etc11
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10 PUNCH TOT("Ca")
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20 totelt=SYS("Ca",n,n$,t$,c)
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30 FOR i=1 to n
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40 PUNCH n$(i),t$(i),c(i)
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50 NEXT i
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EQUILIBRIUM_PHASES
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CO2(g) -3.5 10
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Calcite 0 10
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END
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20
test2/Makefile
Normal file
20
test2/Makefile
Normal file
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include makelist
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CXX = g++
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CPPFLAGS = -Wall -DNDEBUG -DSWIG_SHARED_OBJ
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LDFLAGS = -L../lib
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FC = f95
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FLDFLAGS = -lgfortranbegin -lgfortran
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%.o: %.f
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$(FC) $(FFLAGS) $(TARGET_ARCH) -g -c -o $@ $<
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all: test2
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clean:
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$(RM) test2 test2.o test2.exe sel1 sel2 phreeqc.log phreeqc.out phreeqc.err error.inp
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test2: test2.o ../lib/libiphreeqc.a
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$(CXX) $(LDFLAGS) -o test2 test2.o -liphreeqc $(FLDFLAGS)
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test2.o: test2.f
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50
test2/makelist
Normal file
50
test2/makelist
Normal file
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CC = gcc -fno-second-underscore
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FC = g77 -fno-second-underscore
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ARC = CYGWIN
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RM = rm -f
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MV = mv -f
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CP = cp
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RANLIB = ls
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MAKE = make
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LN = ln -s
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CD = cd
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AR = ar ruv
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COMPILE_FLAGS = -DUSE_DIRENT
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LDFLAGS =
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PRINTFLAGS = -DUSE_LPR_PRINT_CMD
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XCFLAGS =
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XLDFLAGS =
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XINCPATH = -I/usr/X11R6/include
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XBAEINCPATH = -I/mms/src/include -I/usr/X11R6/include/Xbae
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XMINCPATH = -I/usr/X11R6/include
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XLIBPATH = -L/usr/X11R6/lib
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XTLIBPATH = -L/usr/X11R6/lib
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XMLIBPATH = -L/usr/X11R6/lib
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XLIB = -lX11
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XTLIB = -lXt
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XMLIB = -lXm
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XEXTRALIBS = -lcygipc -lSM -lICE -lnetcdf -lf2c
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MATHLIB = -lm
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GISFLAG = -D_GIS
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GISLIB = -lgis
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######################################################################
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# local macros for model building
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######################################################################
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MMSDIR = /mms
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MSRCDIR = /mms/src/mms
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MINCDIR = /mms/src/include
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MLIBDIR = /mms/lib
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MOBJDIR = /mms/obj
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OBJDIR = /mms/obj
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MBINDIR = /mms/bin
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CFLAGS = -g -DUSE_DIRENT -I. -I/mms/src/include -I/usr/X11R6/include -DHAVE_NETCDF -I/usr/include -I/usr/local/include
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FFLAGS = -g
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# CFLAGS = -O3 -DNDEBUG -DUSE_DIRENT -I. -I/mms/src/include -I/usr/X11R6/include -DHAVE_NETCDF -I/usr/include -I/usr/local/include
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# FFLAGS = -O3
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FLIBS = -lm -lc
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GLIBS = -L/usr/X11R6/lib -lXm -lXt -lX11 $(XEXTRALIBS)
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140
test2/test2.dsp
Normal file
140
test2/test2.dsp
Normal file
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# Microsoft Developer Studio Project File - Name="test2" - Package Owner=<4>
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# Microsoft Developer Studio Generated Build File, Format Version 6.00
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# ** DO NOT EDIT **
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# TARGTYPE "Win32 (x86) Console Application" 0x0103
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CFG=test2 - Win32 Profile
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!MESSAGE This is not a valid makefile. To build this project using NMAKE,
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!MESSAGE use the Export Makefile command and run
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!MESSAGE
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!MESSAGE NMAKE /f "test2.mak".
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!MESSAGE
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!MESSAGE You can specify a configuration when running NMAKE
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!MESSAGE by defining the macro CFG on the command line. For example:
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!MESSAGE
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!MESSAGE NMAKE /f "test2.mak" CFG="test2 - Win32 Profile"
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!MESSAGE
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!MESSAGE Possible choices for configuration are:
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!MESSAGE
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!MESSAGE "test2 - Win32 Release" (based on "Win32 (x86) Console Application")
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!MESSAGE "test2 - Win32 Debug" (based on "Win32 (x86) Console Application")
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!MESSAGE "test2 - Win32 Profile" (based on "Win32 (x86) Console Application")
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!MESSAGE
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# Begin Project
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# PROP AllowPerConfigDependencies 0
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# PROP Scc_ProjName ""
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# PROP Scc_LocalPath ""
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CPP=cl.exe
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F90=df.exe
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RSC=rc.exe
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!IF "$(CFG)" == "test2 - Win32 Release"
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# PROP BASE Use_MFC 0
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# PROP BASE Use_Debug_Libraries 0
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# PROP BASE Output_Dir "Release"
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# PROP BASE Intermediate_Dir "Release"
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# PROP BASE Target_Dir ""
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# PROP Use_MFC 0
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# PROP Use_Debug_Libraries 0
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# PROP Output_Dir "Release"
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# PROP Intermediate_Dir "Release"
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# PROP Ignore_Export_Lib 0
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# PROP Target_Dir ""
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# ADD BASE F90 /compile_only /nologo /warn:nofileopt
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# ADD F90 /compile_only /nologo /warn:nofileopt
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# ADD BASE CPP /nologo /W3 /GX /O2 /D "WIN32" /D "NDEBUG" /D "_CONSOLE" /D "_MBCS" /YX /FD /c
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# ADD CPP /nologo /W3 /GX /O2 /D "WIN32" /D "NDEBUG" /D "_CONSOLE" /D "_MBCS" /YX /FD /c
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# ADD BASE RSC /l 0x409 /d "NDEBUG"
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# ADD RSC /l 0x409 /d "NDEBUG"
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BSC32=bscmake.exe
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# ADD BASE BSC32 /nologo
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# ADD BSC32 /nologo
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LINK32=link.exe
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# ADD BASE LINK32 kernel32.lib user32.lib gdi32.lib winspool.lib comdlg32.lib advapi32.lib shell32.lib ole32.lib oleaut32.lib uuid.lib odbc32.lib odbccp32.lib /nologo /subsystem:console /machine:I386
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# ADD LINK32 iphreeqc.lib kernel32.lib user32.lib gdi32.lib winspool.lib comdlg32.lib advapi32.lib shell32.lib ole32.lib oleaut32.lib uuid.lib odbc32.lib odbccp32.lib /nologo /subsystem:console /machine:I386 /libpath:"../lib"
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!ELSEIF "$(CFG)" == "test2 - Win32 Debug"
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# PROP BASE Use_MFC 0
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# PROP BASE Use_Debug_Libraries 1
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||||||
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# PROP BASE Output_Dir "Debug"
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||||||
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# PROP BASE Intermediate_Dir "Debug"
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||||||
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# PROP BASE Target_Dir ""
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||||||
|
# PROP Use_MFC 0
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||||||
|
# PROP Use_Debug_Libraries 1
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||||||
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# PROP Output_Dir "Debug"
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||||||
|
# PROP Intermediate_Dir "Debug"
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||||||
|
# PROP Ignore_Export_Lib 0
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||||||
|
# PROP Target_Dir ""
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||||||
|
# ADD BASE F90 /check:bounds /compile_only /debug:full /nologo /traceback /warn:argument_checking /warn:nofileopt
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# ADD F90 /check:bounds /compile_only /debug:full /nologo /traceback /warn:argument_checking /warn:nofileopt
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# ADD BASE CPP /nologo /W3 /Gm /GX /ZI /Od /D "WIN32" /D "_DEBUG" /D "_CONSOLE" /D "_MBCS" /YX /FD /GZ /c
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|
# ADD CPP /nologo /W3 /Gm /GX /ZI /Od /D "WIN32" /D "_DEBUG" /D "_CONSOLE" /D "_MBCS" /YX /FD /GZ /c
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# ADD BASE RSC /l 0x409 /d "_DEBUG"
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# ADD RSC /l 0x409 /d "_DEBUG"
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BSC32=bscmake.exe
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# ADD BASE BSC32 /nologo
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||||||
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# ADD BSC32 /nologo
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LINK32=link.exe
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# ADD BASE LINK32 kernel32.lib user32.lib gdi32.lib winspool.lib comdlg32.lib advapi32.lib shell32.lib ole32.lib oleaut32.lib uuid.lib odbc32.lib odbccp32.lib /nologo /subsystem:console /debug /machine:I386 /pdbtype:sept
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# ADD LINK32 iphreeqcd.lib kernel32.lib user32.lib gdi32.lib winspool.lib comdlg32.lib advapi32.lib shell32.lib ole32.lib oleaut32.lib uuid.lib odbc32.lib odbccp32.lib /nologo /subsystem:console /debug /machine:I386 /pdbtype:sept /libpath:"../lib"
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# SUBTRACT LINK32 /incremental:no
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||||||
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!ELSEIF "$(CFG)" == "test2 - Win32 Profile"
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||||||
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# PROP BASE Use_MFC 0
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||||||
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# PROP BASE Use_Debug_Libraries 1
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||||||
|
# PROP BASE Output_Dir "test2___Win32_Profile"
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||||||
|
# PROP BASE Intermediate_Dir "test2___Win32_Profile"
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||||||
|
# PROP BASE Ignore_Export_Lib 0
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||||||
|
# PROP BASE Target_Dir ""
|
||||||
|
# PROP Use_MFC 0
|
||||||
|
# PROP Use_Debug_Libraries 1
|
||||||
|
# PROP Output_Dir "Profile"
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||||||
|
# PROP Intermediate_Dir "Profile"
|
||||||
|
# PROP Ignore_Export_Lib 0
|
||||||
|
# PROP Target_Dir ""
|
||||||
|
# ADD BASE F90 /check:bounds /compile_only /debug:full /nologo /traceback /warn:argument_checking /warn:nofileopt
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||||||
|
# ADD F90 /check:bounds /compile_only /debug:full /nologo /traceback /warn:argument_checking /warn:nofileopt
|
||||||
|
# ADD BASE CPP /nologo /W3 /Gm /GX /ZI /Od /D "WIN32" /D "_DEBUG" /D "_CONSOLE" /D "_MBCS" /YX /FD /GZ /c
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||||||
|
# ADD CPP /nologo /W3 /Gm /GX /ZI /Od /D "WIN32" /D "_DEBUG" /D "_CONSOLE" /D "_MBCS" /YX /FD /GZ /c
|
||||||
|
# ADD BASE RSC /l 0x409 /d "_DEBUG"
|
||||||
|
# ADD RSC /l 0x409 /d "_DEBUG"
|
||||||
|
BSC32=bscmake.exe
|
||||||
|
# ADD BASE BSC32 /nologo
|
||||||
|
# ADD BSC32 /nologo
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||||||
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LINK32=link.exe
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||||||
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# ADD BASE LINK32 iphreeqcd.lib kernel32.lib user32.lib gdi32.lib winspool.lib comdlg32.lib advapi32.lib shell32.lib ole32.lib oleaut32.lib uuid.lib odbc32.lib odbccp32.lib /nologo /subsystem:console /incremental:no /debug /machine:I386 /pdbtype:sept /libpath:"../lib"
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# ADD LINK32 iphreeqcd.lib kernel32.lib user32.lib gdi32.lib winspool.lib comdlg32.lib advapi32.lib shell32.lib ole32.lib oleaut32.lib uuid.lib odbc32.lib odbccp32.lib /nologo /subsystem:console /profile /debug /machine:I386 /libpath:"../lib"
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!ENDIF
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||||||
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# Begin Target
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||||||
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|
||||||
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# Name "test2 - Win32 Release"
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# Name "test2 - Win32 Debug"
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||||||
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# Name "test2 - Win32 Profile"
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||||||
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# Begin Group "Source Files"
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# PROP Default_Filter "cpp;c;cxx;rc;def;r;odl;idl;hpj;bat;f90;for;f;fpp"
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||||||
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# Begin Source File
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SOURCE=.\test2.for
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DEP_F90_TEST2=\
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"..\include\IPhreeqc.f90.inc"\
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||||||
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# End Source File
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||||||
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# End Group
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||||||
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# Begin Group "Header Files"
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||||||
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||||||
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# PROP Default_Filter "h;hpp;hxx;hm;inl;fi;fd"
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||||||
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# End Group
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||||||
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# Begin Group "Resource Files"
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||||||
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# PROP Default_Filter "ico;cur;bmp;dlg;rc2;rct;bin;rgs;gif;jpg;jpeg;jpe"
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||||||
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# End Group
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||||||
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# End Target
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||||||
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# End Project
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29
test2/test2.dsw
Normal file
29
test2/test2.dsw
Normal file
@ -0,0 +1,29 @@
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Microsoft Developer Studio Workspace File, Format Version 6.00
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||||||
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# WARNING: DO NOT EDIT OR DELETE THIS WORKSPACE FILE!
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||||||
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|
||||||
|
###############################################################################
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||||||
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||||||
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Project: "test2"=.\test2.dsp - Package Owner=<4>
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||||||
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||||||
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Package=<5>
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||||||
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{{{
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||||||
|
}}}
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||||||
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Package=<4>
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||||||
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{{{
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||||||
|
}}}
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||||||
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||||||
|
###############################################################################
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||||||
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||||||
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Global:
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||||||
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|
||||||
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Package=<5>
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||||||
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{{{
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||||||
|
}}}
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||||||
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|
||||||
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Package=<3>
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||||||
|
{{{
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||||||
|
}}}
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||||||
|
|
||||||
|
###############################################################################
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||||||
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33
test2/test2.f
Normal file
33
test2/test2.f
Normal file
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PROGRAM DRIVER
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|
||||||
|
IMPLICIT NONE
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||||||
|
INCLUDE '../include/IPhreeqc.f.inc'
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||||||
|
INTEGER iresult
|
||||||
|
INTEGER rows, cols
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||||||
|
|
||||||
|
iresult = LoadDatabase
|
||||||
|
&('wateq4f.dat')
|
||||||
|
IF (iresult.NE.VR_OK) THEN
|
||||||
|
CALL OutputLastError
|
||||||
|
STOP 'Failed to load database'
|
||||||
|
ENDIF
|
||||||
|
|
||||||
|
!! iresult= Runfile('CO2test',
|
||||||
|
!! & .true.,.true.,.true.,.true.)
|
||||||
|
iresult= Runfile('tester',
|
||||||
|
& .true.,.true.,.true.,.true.)
|
||||||
|
|
||||||
|
IF (iresult.NE.VR_OK) THEN
|
||||||
|
CALL OutputLastError
|
||||||
|
STOP 'Failed to run'
|
||||||
|
ENDIF
|
||||||
|
|
||||||
|
rows = GetSelectedOutputRowCount()
|
||||||
|
cols = GetSelectedOutputColumnCount()
|
||||||
|
|
||||||
|
PRINT*,'Rows= ',rows
|
||||||
|
PRINT*,'Cols= ',cols
|
||||||
|
|
||||||
|
STOP 'Ok'
|
||||||
|
|
||||||
|
END
|
||||||
33
test2/test2.for
Normal file
33
test2/test2.for
Normal file
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|
|||||||
|
PROGRAM DRIVER
|
||||||
|
|
||||||
|
IMPLICIT NONE
|
||||||
|
INCLUDE '..\include\IPhreeqc.f90.inc'
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||||||
|
INTEGER iresult
|
||||||
|
INTEGER rows, cols
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||||||
|
|
||||||
|
iresult = LoadDatabase
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||||||
|
&('wateq4f.dat')
|
||||||
|
IF (iresult.NE.VR_OK) THEN
|
||||||
|
CALL OutputLastError
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||||||
|
STOP 'Failed to load database'
|
||||||
|
ENDIF
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||||||
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||||||
|
!! iresult= Runfile('CO2test',
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||||||
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!! & .true.,.true.,.true.,.true.)
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||||||
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iresult= Runfile('tester',
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||||||
|
& .true.,.true.,.true.,.true.)
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||||||
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||||||
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IF (iresult.NE.VR_OK) THEN
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||||||
|
CALL OutputLastError
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||||||
|
STOP 'Failed to run'
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||||||
|
ENDIF
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||||||
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||||||
|
rows = GetSelectedOutputRowCount()
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||||||
|
cols = GetSelectedOutputColumnCount()
|
||||||
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||||||
|
PRINT*,'Rows= ',rows
|
||||||
|
PRINT*,'Cols= ',cols
|
||||||
|
|
||||||
|
STOP 'Ok'
|
||||||
|
|
||||||
|
END
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||||||
38
test2/test2.vfproj
Normal file
38
test2/test2.vfproj
Normal file
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|
|||||||
|
<?xml version="1.0" encoding="UTF-8"?>
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||||||
|
<VisualStudioProject ProjectCreator="Intel Fortran" Keyword="Console Application - Converted from CVF" Version="11.0" ProjectIdGuid="{0BF09B12-56BE-42FC-B39E-61AE515D8858}">
|
||||||
|
<Platforms>
|
||||||
|
<Platform Name="Win32"/></Platforms>
|
||||||
|
<Configurations>
|
||||||
|
<Configuration Name="Debug|Win32" DeleteExtensionsOnClean="*.obj;*.mod;*.pdb;*.asm;*.map;*.dyn;*.dpi;*.tmp;*.log;*.ilk;*.exe;$(TargetPath)">
|
||||||
|
<Tool Name="VFFortranCompilerTool" SuppressStartupBanner="true" DebugInformationFormat="debugEnabled" Optimization="optimizeDisabled" Preprocess="preprocessYes" CallingConvention="callConventionCVF" ModulePath="$(INTDIR)/" ObjectFile="$(INTDIR)/" AssemblerListingLocation="$(INTDIR)/" Traceback="true" BoundsCheck="true" RuntimeLibrary="rtMultiThreadedDebug" WarnArgMismatch="true"/>
|
||||||
|
<Tool Name="VFLinkerTool" AdditionalOptions="/MACHINE:I386" OutputFile="$(OUTDIR)/test2.exe" LinkIncremental="linkIncrementalYes" SuppressStartupBanner="true" AdditionalLibraryDirectories="../lib" GenerateDebugInformation="true" ProgramDatabaseFile="$(OUTDIR)/test2.pdb" SubSystem="subSystemConsole" AdditionalDependencies="iphreeqcd.lib kernel32.lib user32.lib gdi32.lib winspool.lib comdlg32.lib advapi32.lib shell32.lib ole32.lib oleaut32.lib uuid.lib odbc32.lib odbccp32.lib"/>
|
||||||
|
<Tool Name="VFResourceCompilerTool" PreprocessorDefinitions="_DEBUG" Culture="rcEnglishUS" ResourceOutputFileName="$(INTDIR)/$(InputName).res"/>
|
||||||
|
<Tool Name="VFMidlTool" SuppressStartupBanner="true" TypeLibraryName="$(OUTDIR)/test2.tlb"/>
|
||||||
|
<Tool Name="VFCustomBuildTool"/>
|
||||||
|
<Tool Name="VFPreLinkEventTool"/>
|
||||||
|
<Tool Name="VFPreBuildEventTool"/>
|
||||||
|
<Tool Name="VFPostBuildEventTool"/></Configuration>
|
||||||
|
<Configuration Name="Release|Win32" DeleteExtensionsOnClean="*.obj;*.mod;*.pdb;*.asm;*.map;*.dyn;*.dpi;*.tmp;*.log;*.ilk;*.exe;$(TargetPath)">
|
||||||
|
<Tool Name="VFFortranCompilerTool" SuppressStartupBanner="true" CallingConvention="callConventionCVF" ModulePath="$(INTDIR)/" ObjectFile="$(INTDIR)/" AssemblerListingLocation="$(INTDIR)/"/>
|
||||||
|
<Tool Name="VFLinkerTool" AdditionalOptions="/MACHINE:I386" OutputFile="$(OUTDIR)/test2.exe" LinkIncremental="linkIncrementalNo" SuppressStartupBanner="true" AdditionalLibraryDirectories="../lib" ProgramDatabaseFile="$(OUTDIR)/test2.pdb" SubSystem="subSystemConsole" AdditionalDependencies="iphreeqc.lib kernel32.lib user32.lib gdi32.lib winspool.lib comdlg32.lib advapi32.lib shell32.lib ole32.lib oleaut32.lib uuid.lib odbc32.lib odbccp32.lib"/>
|
||||||
|
<Tool Name="VFResourceCompilerTool" PreprocessorDefinitions="NDEBUG" Culture="rcEnglishUS" ResourceOutputFileName="$(INTDIR)/$(InputName).res"/>
|
||||||
|
<Tool Name="VFMidlTool" SuppressStartupBanner="true" TypeLibraryName="$(OUTDIR)/test2.tlb"/>
|
||||||
|
<Tool Name="VFCustomBuildTool"/>
|
||||||
|
<Tool Name="VFPreLinkEventTool"/>
|
||||||
|
<Tool Name="VFPreBuildEventTool"/>
|
||||||
|
<Tool Name="VFPostBuildEventTool"/></Configuration>
|
||||||
|
<Configuration Name="MemDebug|Win32" DeleteExtensionsOnClean="*.obj;*.mod;*.pdb;*.asm;*.map;*.dyn;*.dpi;*.tmp;*.log;*.ilk;*.exe;$(TargetPath)">
|
||||||
|
<Tool Name="VFFortranCompilerTool" SuppressStartupBanner="true" DebugInformationFormat="debugEnabled" Optimization="optimizeDisabled" Preprocess="preprocessYes" CallingConvention="callConventionCVF" ModulePath="$(INTDIR)/" ObjectFile="$(INTDIR)/" AssemblerListingLocation="$(INTDIR)/" Traceback="true" BoundsCheck="true" RuntimeLibrary="rtMultiThreadedDebug" WarnArgMismatch="true"/>
|
||||||
|
<Tool Name="VFLinkerTool" AdditionalOptions="/MACHINE:I386" OutputFile="$(OUTDIR)/test2.exe" LinkIncremental="linkIncrementalYes" SuppressStartupBanner="true" AdditionalLibraryDirectories="../lib" GenerateDebugInformation="true" ProgramDatabaseFile="$(OUTDIR)/test2.pdb" SubSystem="subSystemConsole" AdditionalDependencies="IPhreeqcmd.lib kernel32.lib user32.lib gdi32.lib winspool.lib comdlg32.lib advapi32.lib shell32.lib ole32.lib oleaut32.lib uuid.lib odbc32.lib odbccp32.lib"/>
|
||||||
|
<Tool Name="VFResourceCompilerTool" PreprocessorDefinitions="_DEBUG" Culture="rcEnglishUS" ResourceOutputFileName="$(INTDIR)/$(InputName).res"/>
|
||||||
|
<Tool Name="VFMidlTool" SuppressStartupBanner="true" TypeLibraryName="$(OUTDIR)/test2.tlb"/>
|
||||||
|
<Tool Name="VFCustomBuildTool"/>
|
||||||
|
<Tool Name="VFPreLinkEventTool"/>
|
||||||
|
<Tool Name="VFPreBuildEventTool"/>
|
||||||
|
<Tool Name="VFPostBuildEventTool"/></Configuration></Configurations>
|
||||||
|
<Files>
|
||||||
|
<Filter Name="Header Files" Filter="h;hpp;hxx;hm;inl;fi;fd"/>
|
||||||
|
<Filter Name="Resource Files" Filter="ico;cur;bmp;dlg;rc2;rct;bin;rgs;gif;jpg;jpeg;jpe"/>
|
||||||
|
<Filter Name="Source Files" Filter="cpp;c;cxx;rc;def;r;odl;idl;hpj;bat;f90;for;f;fpp">
|
||||||
|
<File RelativePath="test2.for"/></Filter></Files>
|
||||||
|
<Globals/></VisualStudioProject>
|
||||||
11
test2/tester
Normal file
11
test2/tester
Normal file
@ -0,0 +1,11 @@
|
|||||||
|
SOLUTION 1
|
||||||
|
pH 7
|
||||||
|
Na 1
|
||||||
|
PHASES
|
||||||
|
Fix_H+
|
||||||
|
H+ = H+
|
||||||
|
log_k 0
|
||||||
|
EQUILIBRIUM_PHASES
|
||||||
|
Fix_H+ -10 HCl 10
|
||||||
|
##SELECTED_OUTPUT
|
||||||
|
END
|
||||||
3838
test2/wateq4f.dat
Normal file
3838
test2/wateq4f.dat
Normal file
File diff suppressed because it is too large
Load Diff
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Reference in New Issue
Block a user