mirror of
https://git.gfz-potsdam.de/naaice/iphreeqc.git
synced 2025-12-15 16:18:22 +01:00
working on configure script and testing on linux
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@4271 1feff8c3-07ed-0310-ac33-dd36852eb9cd
This commit is contained in:
Scott R Charlton
parent
37bc8baffb
commit
4793b2a682
24
configure.ac
24
configure.ac
@ -1,8 +1,12 @@
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# Prelude.
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# -*- Autoconf -*-
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# Process this file with autoconf to produce a configure script.
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AC_PREREQ([2.64])
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AC_INIT([IPhreeqc], [1.0], [charlton@usgs.gov])
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AC_CONFIG_AUX_DIR([config])
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AC_CONFIG_MACRO_DIR([m4])
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AM_INIT_AUTOMAKE([-Wall -Werror foreign])
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AC_CONFIG_SRCDIR([src/IPhreeqc.cpp])
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# Checks for programs.
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AC_PROG_CXX
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@ -17,9 +21,12 @@ AC_ARG_ENABLE([fortran],
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if test "X$IPQ_FORTRAN" = "Xyes"; then
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echo "yes"
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AC_PROG_F77
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AC_F77_LIBRARY_LDFLAGS
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AC_F77_WRAPPERS
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AC_PROG_FC
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AC_FC_LIBRARY_LDFLAGS
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AC_FC_WRAPPERS
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AC_FC_MAIN
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AC_SUBST(F77, $FC)
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AC_SUBST(FFLAGS, $FCFLAGS)
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else
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echo "no"
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fi
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@ -29,7 +36,14 @@ AM_CONDITIONAL([BUILD_FORTRAN], [test "X$IPQ_FORTRAN" = "Xyes"])
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AC_DISABLE_SHARED
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AC_PROG_LIBTOOL
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# Output files.
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# Checks for libraries.
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# Checks for header files.
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# Checks for typedefs, structures, and compiler characteristics.
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# Checks for library functions.
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AC_CONFIG_FILES([Makefile src/Makefile test/Makefile testcpp/Makefile])
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AC_OUTPUT
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@ -59,7 +59,7 @@ C
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INTEGER LoadDatabase
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INTEGER LoadDatabaseString
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C INTEGER OutputLastError
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INTEGER OutputLastWarning
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C INTEGER OutputLastWarning
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INTEGER OutputLines
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INTEGER RunAccumulated
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INTEGER RunFile
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@ -91,50 +91,56 @@
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INTERFACE
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SUBROUTINE SetSelectedOutputOn(ID,SEL_ON)
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FUNCTION SetSelectedOutputOn(ID,SEL_ON)
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INTEGER(KIND=4) :: ID
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LOGICAL(KIND=4) :: SEL_ON
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END SUBROUTINE SetSelectedOutputOn
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INTEGER(KIND=4) :: SetSelectedOutputOn
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END FUNCTION SetSelectedOutputOn
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END INTERFACE
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INTERFACE
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SUBROUTINE SetOutputOn(ID,OUT_ON)
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FUNCTION SetOutputOn(ID,OUT_ON)
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INTEGER(KIND=4) :: ID
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LOGICAL(KIND=4) :: OUT_ON
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END SUBROUTINE SetOutputOn
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INTEGER(KIND=4) :: SetOutputOn
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END FUNCTION SetOutputOn
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END INTERFACE
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INTERFACE
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SUBROUTINE SetErrorOn(ID,ERR_ON)
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FUNCTION SetErrorOn(ID,ERR_ON)
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INTEGER(KIND=4) :: ID
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LOGICAL(KIND=4) :: ERR_ON
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END SUBROUTINE SetErrorOn
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INTEGER(KIND=4) :: SetErrorOn
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END FUNCTION SetErrorOn
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END INTERFACE
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INTERFACE
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SUBROUTINE SetLogOn(ID,LOG_ON)
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FUNCTION SetLogOn(ID,LOG_ON)
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INTEGER(KIND=4) :: ID
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LOGICAL(KIND=4) :: LOG_ON
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END SUBROUTINE SetLogOn
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INTEGER(KIND=4) :: SetLogOn
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END FUNCTION SetLogOn
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END INTERFACE
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INTERFACE
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SUBROUTINE SetDumpOn(ID,DUMP_ON)
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FUNCTION SetDumpOn(ID,DUMP_ON)
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INTEGER(KIND=4) :: ID
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LOGICAL(KIND=4) :: DUMP_ON
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END SUBROUTINE SetDumpOn
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INTEGER(KIND=4) :: SetDumpOn
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END FUNCTION SetDumpOn
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END INTERFACE
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INTERFACE
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SUBROUTINE SetDumpStringOn(ID,DUMP_STRING_ON)
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FUNCTION SetDumpStringOn(ID,DUMP_STRING_ON)
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INTEGER(KIND=4) :: ID
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LOGICAL(KIND=4) :: DUMP_STRING_ON
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END SUBROUTINE SetDumpStringOn
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INTEGER(KIND=4) :: SetDumpStringOn
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END FUNCTION SetDumpStringOn
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END INTERFACE
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@ -234,9 +240,10 @@
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INTERFACE
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SUBROUTINE GetComponent(ID,N,COMP)
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FUNCTION GetComponent(ID,N,COMP)
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INTEGER(KIND=4) :: ID
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INTEGER(KIND=4) :: N
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CHARACTER(LEN=*) :: COMP
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END SUBROUTINE
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INTEGER(KIND=4) :: GetComponent
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END FUNCTION GetComponent
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END INTERFACE
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@ -40,14 +40,17 @@
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UnLoadDatabase = UnLoadDatabaseF(ID)
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END FUNCTION UnLoadDatabase
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!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
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SUBROUTINE OutputLastError
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SUBROUTINE OutputLastError(ID)
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IMPLICIT NONE
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CALL OutputLastErrorF
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INTEGER :: ID
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WRITE(*,*) "fortran OutputLastError ID = ", ID
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CALL OutputLastErrorF(ID)
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END SUBROUTINE OutputLastError
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!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
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SUBROUTINE OutputLastWarning
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SUBROUTINE OutputLastWarning(ID)
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IMPLICIT NONE
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CALL OutputLastWarningF
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INTEGER :: ID
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CALL OutputLastWarningF(ID)
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END SUBROUTINE OutputLastWarning
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!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
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FUNCTION AccumulateLine(ID,LINE)
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@ -18,18 +18,25 @@ private:
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int
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CreateIPhreeqc(void)
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{
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return IPhreeqcLib::CreateIPhreeqc();
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// return IPhreeqcLib::CreateIPhreeqc();
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int i = IPhreeqcLib::CreateIPhreeqc();
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std::cout << "CreateIPhreeqc " << i << "\n";
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return i;
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}
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IPQ_RESULT
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DestroyIPhreeqc(int id)
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{
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return IPhreeqcLib::DestroyIPhreeqc(id);
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// return IPhreeqcLib::DestroyIPhreeqc(id);
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IPQ_RESULT i = IPhreeqcLib::DestroyIPhreeqc(id);
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std::cout << "DestroyIPhreeqc( " << id << ") = " << i << "\n";
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return i;
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}
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int
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LoadDatabase(int id, const char* filename)
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{
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std::cout << "In LoadDatabase id = " << id << "\n";
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IPhreeqc* IPhreeqcPtr = IPhreeqcLib::GetInstance(id);
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if (IPhreeqcPtr)
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{
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@ -65,6 +72,7 @@ void
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OutputLastError(int id)
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{
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static const char err_msg[] = "OutputLastError: Bad instance.\n";
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std::cout << "In OutputLastError id = " << id << "\n";
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IPhreeqc* IPhreeqcPtr = IPhreeqcLib::GetInstance(id);
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if (IPhreeqcPtr)
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{
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@ -134,7 +142,7 @@ GetDumpLineCount(int id)
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return 0;
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}
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const char*
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const char*
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GetDumpLine(int id, int n)
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{
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static const char err_msg[] = "GetDumpLine: Bad instance.\n";
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@ -148,11 +148,11 @@ include_HEADERS=\
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if BUILD_FORTRAN
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libiphreeqc_la_SOURCES+=\
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fwrap.cpp\
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fwrap.h\
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fwrap.cpp\
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fwrap2.cpp\
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fwrap3.cpp\
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IPhreeqcF.F
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IPhreeqcF.f
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include_HEADERS+=\
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$(top_srcdir)/include/IPhreeqc.f90.inc\
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62
src/fwrap.h
62
src/fwrap.h
@ -7,37 +7,37 @@
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#define DLL_EXPORT
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#endif
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#if defined(F77_FUNC)
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#define CreateIPhreeqcF F77_FUNC (createiphreeqcf, CREATEIPHREEQCF)
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#define DestroyIPhreeqcF F77_FUNC (destroyiphreeqcf, DESTROYIPHREEQCF)
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#define LoadDatabaseF F77_FUNC (loaddatabasef, LOADDATABASEF)
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#define LoadDatabaseStringF F77_FUNC (loaddatabasestringf, LOADDATABASESTRINGF)
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#define UnLoadDatabaseF F77_FUNC (unloaddatabasef, UNLOADDATABASEF)
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#define AccumulateLineF F77_FUNC (accumulatelinef, ACCUMULATELINEF)
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#define RunAccumulatedF F77_FUNC (runaccumulatedf, RUNACCUMULATEDF)
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#define RunFileF F77_FUNC (runfilef, RUNFILEF)
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#define RunStringF F77_FUNC (runstringf, RUNSTRINGF)
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#define GetSelectedOutputRowCountF F77_FUNC (getselectedoutputrowcountf, GETSELECTEDOUTPUTROWCOUNTF)
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#define GetSelectedOutputColumnCountF F77_FUNC (getselectedoutputcolumncountf, GETSELECTEDOUTPUTCOLUMNCOUNTF)
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#define GetSelectedOutputValueF F77_FUNC (getselectedoutputvaluef, GETSELECTEDOUTPUTVALUEF)
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#define SetSelectedOutputOnF F77_FUNC (setselectedoutputonf, SETSELECTEDOUTPUTONF)
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#define SetOutputOnF F77_FUNC (setoutputonf, SETOUTPUTONF)
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#define SetErrorOnF F77_FUNC (seterroronf, SETERRORONF)
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#define SetLogOnF F77_FUNC (setlogonf, SETLOGONF)
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#define SetDumpOnF F77_FUNC (setdumponf, SETDUMPONF)
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#define SetDumpStringOnF F77_FUNC (setdumpstringonf, SETDUMPSTRINGONF)
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#define GetDumpLineCountF F77_FUNC (getdumplinecountf, GETDUMPLINECOUNTF)
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#define GetDumpLineF F77_FUNC (getdumplinef, GETDUMPLINEF)
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#define GetErrorLineCountF F77_FUNC (geterrorlinecountf, GETERRORLINECOUNTF)
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#define GetErrorLineF F77_FUNC (geterrorlinef, GETERRORLINEF)
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#define GetWarningLineCountF F77_FUNC (getwarninglinecountf, GETWARNINGLINECOUNTF)
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#define GetWarningLineF F77_FUNC (getwarninglinef, GETWARNINGLINEF)
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#define GetComponentCountF F77_FUNC (getcomponentcountf, GETCOMPONENTCOUNTF)
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#define GetComponentF F77_FUNC (getcomponentf, GETCOMPONENTF)
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#define OutputLastErrorF F77_FUNC (outputlasterrorf, OUTPUTLASTERRORF)
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#define OutputLastWarningF F77_FUNC (outputlastwarningf, OUTPUTLASTWARNINGF)
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#define OutputLinesF F77_FUNC (outputlinesf, OUTPUTLINESF)
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#endif /* F77_FUNC */
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#if defined(FC_FUNC)
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#define CreateIPhreeqcF FC_FUNC (createiphreeqcf, CREATEIPHREEQCF)
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#define DestroyIPhreeqcF FC_FUNC (destroyiphreeqcf, DESTROYIPHREEQCF)
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#define LoadDatabaseF FC_FUNC (loaddatabasef, LOADDATABASEF)
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#define LoadDatabaseStringF FC_FUNC (loaddatabasestringf, LOADDATABASESTRINGF)
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#define UnLoadDatabaseF FC_FUNC (unloaddatabasef, UNLOADDATABASEF)
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#define AccumulateLineF FC_FUNC (accumulatelinef, ACCUMULATELINEF)
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#define RunAccumulatedF FC_FUNC (runaccumulatedf, RUNACCUMULATEDF)
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#define RunFileF FC_FUNC (runfilef, RUNFILEF)
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#define RunStringF FC_FUNC (runstringf, RUNSTRINGF)
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#define GetSelectedOutputRowCountF FC_FUNC (getselectedoutputrowcountf, GETSELECTEDOUTPUTROWCOUNTF)
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#define GetSelectedOutputColumnCountF FC_FUNC (getselectedoutputcolumncountf, GETSELECTEDOUTPUTCOLUMNCOUNTF)
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#define GetSelectedOutputValueF FC_FUNC (getselectedoutputvaluef, GETSELECTEDOUTPUTVALUEF)
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#define SetSelectedOutputOnF FC_FUNC (setselectedoutputonf, SETSELECTEDOUTPUTONF)
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#define SetOutputOnF FC_FUNC (setoutputonf, SETOUTPUTONF)
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#define SetErrorOnF FC_FUNC (seterroronf, SETERRORONF)
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#define SetLogOnF FC_FUNC (setlogonf, SETLOGONF)
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#define SetDumpOnF FC_FUNC (setdumponf, SETDUMPONF)
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#define SetDumpStringOnF FC_FUNC (setdumpstringonf, SETDUMPSTRINGONF)
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#define GetDumpLineCountF FC_FUNC (getdumplinecountf, GETDUMPLINECOUNTF)
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#define GetDumpLineF FC_FUNC (getdumplinef, GETDUMPLINEF)
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#define GetErrorLineCountF FC_FUNC (geterrorlinecountf, GETERRORLINECOUNTF)
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#define GetErrorLineF FC_FUNC (geterrorlinef, GETERRORLINEF)
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#define GetWarningLineCountF FC_FUNC (getwarninglinecountf, GETWARNINGLINECOUNTF)
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#define GetWarningLineF FC_FUNC (getwarninglinef, GETWARNINGLINEF)
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#define GetComponentCountF FC_FUNC (getcomponentcountf, GETCOMPONENTCOUNTF)
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#define GetComponentF FC_FUNC (getcomponentf, GETCOMPONENTF)
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#define OutputLastErrorF FC_FUNC (outputlasterrorf, OUTPUTLASTERRORF)
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#define OutputLastWarningF FC_FUNC (outputlastwarningf, OUTPUTLASTWARNINGF)
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#define OutputLinesF FC_FUNC (outputlinesf, OUTPUTLINESF)
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#endif /* FC_FUNC */
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#if defined(__cplusplus)
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extern "C" {
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@ -1,5 +1,7 @@
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EXTRA_DIST = phreeqc.dat llnl.dat
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AM_FCFLAGS = -I$(top_srcdir)/include
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AM_FFLAGS = -I$(top_srcdir)/include
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noinst_PROGRAMS = kinn
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kinn_SOURCES = kinn.f dummy.cxx
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kinn_LDADD = ../src/libiphreeqc.la $(FLIBS)
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kinn_SOURCES = kinn.f main.cxx
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kinn_LDADD = $(top_builddir)/src/libiphreeqc.la $(FCLIBS)
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58
test/kinn.f
58
test/kinn.f
@ -1,5 +1,6 @@
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!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
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PROGRAM DRIVER
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C PROGRAM DRIVER
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SUBROUTINE F_MAIN
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IMPLICIT NONE
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INCLUDE 'IPhreeqc.f.inc'
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@ -10,18 +11,22 @@
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CHARACTER(30) comp
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INTEGER n
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INTEGER len
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INTEGER id
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INTEGER(KIND=4) id
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REAL*8 dvalue
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id = CreateIPhreeqc()
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write (*,*) "id = ", id
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IF (id.LT.0) THEN
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CALL OutputLastError(id)
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STOP
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ENDIF
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write (*,*) "id = ", id
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iresult = LoadDatabase(id, 'llnl.dat')
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write (*,*) "id = ", id
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IF (iresult.NE.0) THEN
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write (*,*) "id = ", id
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CALL OutputLastError(id)
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STOP
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ENDIF
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@ -103,7 +108,8 @@
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50 FORMAT(A15,A,$)
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60 FORMAT(1PG15.7E2,A,$)
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END PROGRAM DRIVER
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C END PROGRAM DRIVER
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END SUBROUTINE F_MAIN
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!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
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SUBROUTINE SOLUTION(id, C, Ca, Na)
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INCLUDE 'IPhreeqc.f90.inc'
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@ -111,13 +117,13 @@
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INTEGER err
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REAL C, Ca, Na
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CHARACTER(80) line
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WRITE (line,100),'SOLUTION 1'
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WRITE (line,100) 'SOLUTION 1'
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err = AccumulateLine(id, line)
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WRITE (line,110),'C ', C
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WRITE (line,110) 'C ', C
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err = AccumulateLine(id, line)
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WRITE (line,110),'Ca ', Ca
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WRITE (line,110) 'Ca ', Ca
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err = AccumulateLine(id, line)
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WRITE (line,110),'Na ', Na
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WRITE (line,110) 'Na ', Na
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err = AccumulateLine(id, line)
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100 FORMAT(A)
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110 FORMAT(TR4,A,F8.4)
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@ -130,9 +136,9 @@
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REAL si, amount
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CHARACTER*(*) phase
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CHARACTER(80) line
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WRITE (line,'(A)'),'EQUILIBRIUM_PHASES'
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WRITE (line,'(A)') 'EQUILIBRIUM_PHASES'
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err = AccumulateLine(id, line)
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WRITE (line,'(TR4, A, F8.4, F8.4)'), phase, si, amount
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WRITE (line,'(TR4, A, F8.4, F8.4)') phase, si, amount
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err = AccumulateLine(id, line)
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END SUBROUTINE EQUILIBRIUM_PHASES
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!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
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@ -146,37 +152,37 @@
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CHARACTER(800) line
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CHARACTER(80) form
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CHARACTER(30) heading(20)
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WRITE (line,200),'USER_PUNCH'
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WRITE (line,200) 'USER_PUNCH'
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err = AccumulateLine(id, line)
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DO i = 1,max
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WRITE (heading(i), 210),
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WRITE (heading(i), 210)
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& i, '.name ',
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& i, '.type ',
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& i, '.moles '
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END DO
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WRITE (line, *), '-head ', (heading(i), i=1,max)
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WRITE (line, *) '-head ', (heading(i), i=1,max)
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err = AccumulateLine(id, line)
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WRITE (line, 200), '-start'
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WRITE (line, 200) '-start'
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err = AccumulateLine(id, line)
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WRITE (line, 220), '10 n = sys("'
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WRITE (line, 220) '10 n = sys("'
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& , element, '", count, names$, types$, moles)'
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err = AccumulateLine(id, line)
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WRITE (line, 230), '20 n = ', max
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WRITE (line, 230) '20 n = ', max
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err = AccumulateLine(id, line)
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WRITE (line, 240), '30 if count < ', max
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WRITE (line, 240) '30 if count < ', max
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& , ' then n = count'
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err = AccumulateLine(id, line)
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WRITE (line, 200), '40 for i = 1 to count'
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WRITE (line, 200) '40 for i = 1 to count'
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err = AccumulateLine(id, line)
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WRITE (line, 200), '50 PUNCH names$(i), types$(i), moles(i)'
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WRITE (line, 200) '50 PUNCH names$(i), types$(i), moles(i)'
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err = AccumulateLine(id, line)
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WRITE (line, 200), '60 next i'
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WRITE (line, 200) '60 next i'
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err = AccumulateLine(id, line)
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||||
WRITE (line, 200), '70 list'
|
||||
WRITE (line, 200) '70 list'
|
||||
err = AccumulateLine(id, line)
|
||||
WRITE (line, 200), '-end'
|
||||
WRITE (line, 200) '-end'
|
||||
err = AccumulateLine(id, line)
|
||||
WRITE (line, 200), 'SELECTED_OUTPUT'
|
||||
WRITE (line, 200) 'SELECTED_OUTPUT'
|
||||
err = AccumulateLine(id, line)
|
||||
!!! WRITE (line, 200), '-file srctest.txt'
|
||||
!!! CALL AccumulateLine(line)
|
||||
@ -193,13 +199,13 @@
|
||||
INTEGER err
|
||||
CHARACTER(80) line
|
||||
INTEGER i
|
||||
WRITE (line,500),'PHASES'
|
||||
WRITE (line,500) 'PHASES'
|
||||
err = AccumulateLine(id, line)
|
||||
WRITE (line,510),'Fix_H+'
|
||||
WRITE (line,510) 'Fix_H+'
|
||||
err = AccumulateLine(id, line)
|
||||
WRITE (line,510),'H+ = H+'
|
||||
WRITE (line,510) 'H+ = H+'
|
||||
err = AccumulateLine(id, line)
|
||||
WRITE (line,510),'log_k 0.0'
|
||||
WRITE (line,510) 'log_k 0.0'
|
||||
err = AccumulateLine(id, line)
|
||||
500 FORMAT(A)
|
||||
510 FORMAT(TR4,A)
|
||||
|
||||
Loading…
x
Reference in New Issue
Block a user