initial version 3

Makefile

@@ -1,5 +1,5 @@
-OBJS=metlib3.o tpfun4.o lukasnum.o pmod25.o matsmin.o smp1.o pmon6.o
-EXE=oc2A
+OBJS=metlib3.o tpfun4.o lukasnum.o gtp3.o matsmin.o smp1.o pmon6.o
+EXE=oc3A
 
 all:
 	gfortran -o linkoc linkocdate.F90
@@ -16,8 +16,8 @@ tpfun4.o:	utilities/tpfun4.F90
 lukasnum.o:	numlib/lukasnum.F90
 	gfortran -c -fbounds-check  -finit-local-zero numlib/lukasnum.F90
 
-pmod25.o:	models/pmod25.F90
-	gfortran -c -fbounds-check -finit-local-zero models/pmod25.F90
+gtp3.o:	models/gtp3.F90
+	gfortran -c -fbounds-check -finit-local-zero models/gtp3.F90
 
 matsmin.o:	minimizer/matsmin.F90
 	gfortran -c -fbounds-check  -finit-local-zero minimizer/matsmin.F90
@@ -31,6 +31,6 @@ pmon6.o:	userif/pmon6.F90
 $(EXE): 
 	make $(OBJS)
 # liboceq.a
-	ar sq liboceq.a metlib3.o tpfun4.o lukasnum.o pmod25.o matsmin.o
+	ar sq liboceq.a metlib3.o tpfun4.o lukasnum.o gtp3.o matsmin.o
 # oc2A
 	gfortran -o $(EXE) -fbounds-check  pmain1.F90 pmon6.o smp1.o liboceq.a

TQlib/C/cexample1/readme.txt → TQ3lib-clean/C/cexample1/readme.txt

@@ -1,63 +1,63 @@
-
-This is an example of a C program calling the OC TQ library
-
-The main program is testc1.c
-
-As I know almost nothing about C it is very primitive.  I did not even
-manage to loop the calculation asking for several values of the
-conditions for calculations.
-
-You must copy the following files from the OC or TQ folders
-
-liboceq.a    compiled Fortran library with the basic OC routines
-liboctq.o    compiled Fortran subroutines for the TQ interface
-liboctq.mod  module information about the TQ and EQ packages
-
-The other files are
-
-crfe.TDB       the database file for the Cr-Fe system
-liboctqc.F90   a Fortran subroutine callable from C to access the TQ library
-linktqc1.txt   a Windows command file to compile and link the test program
-readme.txt     this file
-tqexc1.c       a main program in C for testing the C interface
-
-The linktqc1.txt must be changed to a linktqc1.cmd to be executed in a
-Windows environment.  On linux or other OS one can create makefiles or
-other scripts to do the same.  
-
-The liboctq.F90 should be compiled with access to the liboceq.mod file
-compiled and this generates a liboctq.o and liboctq.mod files.  When
-compiling the liboctqc.F90 it need access to liboctq.mod file.
-
-When compiling and linking tqexc1.c it need access to liboctqc.o,
-liboctq.o and liboceq.a
-
-The files liboceq.a and liboceq.mod are created when compiling the
-main OC program.  They should normally be copied from that compilation
-but are provided here to simplify.
-
-The C program will initiate the OC workspace, read the crfe.TDB file
-and write some information about the system.  It will then set the
-conditions P=1E5 (1 bar) and N=1 (system size 1 mole) and then it will
-ask for a temperature. I suggest 800 (Kelvin) as a first value.  Then
-it will ask for a mole fraction of Cr and 0.3 is a good value.
-
-Then there will be some output from OC which will eventually be removed
-but can be useful while testing.
-
-If the calculation is successful the total Gibbs energy and the
-chemical potentials of the components will be listed.
-
-If a C expert helps one can the loop to calculate again with another
-temperature and composition but with my limited understanding of C
-I have failed to implement this.
-
-The liboctq.F90 and the liboctqc.F90 libraries are currently very
-limited, much more can be implemented.  See also the Fortran examples
-which are more elaborated.  For example they allow arrays of data to
-be extracted from the OC library, I do not know how to do this in C.
-
-Good luck and do not hesitate to ask questions and suggest changes.
-
-[email protected]
-
+
+This is an example of a C program calling the OC TQ library
+
+The main program is testc1.c
+
+As I know almost nothing about C it is very primitive.  I did not even
+manage to loop the calculation asking for several values of the
+conditions for calculations.
+
+You must copy the following files from the OC or TQ folders
+
+liboceq.a    compiled Fortran library with the basic OC routines
+liboctq.o    compiled Fortran subroutines for the TQ interface
+liboctq.mod  module information about the TQ and EQ packages
+
+The other files are
+
+crfe.TDB       the database file for the Cr-Fe system
+liboctqc.F90   a Fortran subroutine callable from C to access the TQ library
+linktqc1.txt   a Windows command file to compile and link the test program
+readme.txt     this file
+tqexc1.c       a main program in C for testing the C interface
+
+The linktqc1.txt must be changed to a linktqc1.cmd to be executed in a
+Windows environment.  On linux or other OS one can create makefiles or
+other scripts to do the same.  
+
+The liboctq.F90 should be compiled with access to the liboceq.mod file
+compiled and this generates a liboctq.o and liboctq.mod files.  When
+compiling the liboctqc.F90 it need access to liboctq.mod file.
+
+When compiling and linking tqexc1.c it need access to liboctqc.o,
+liboctq.o and liboceq.a
+
+The files liboceq.a and liboceq.mod are created when compiling the
+main OC program.  They should normally be copied from that compilation
+but are provided here to simplify.
+
+The C program will initiate the OC workspace, read the crfe.TDB file
+and write some information about the system.  It will then set the
+conditions P=1E5 (1 bar) and N=1 (system size 1 mole) and then it will
+ask for a temperature. I suggest 800 (Kelvin) as a first value.  Then
+it will ask for a mole fraction of Cr and 0.3 is a good value.
+
+Then there will be some output from OC which will eventually be removed
+but can be useful while testing.
+
+If the calculation is successful the total Gibbs energy and the
+chemical potentials of the components will be listed.
+
+If a C expert helps one can the loop to calculate again with another
+temperature and composition but with my limited understanding of C
+I have failed to implement this.
+
+The liboctq.F90 and the liboctqc.F90 libraries are currently very
+limited, much more can be implemented.  See also the Fortran examples
+which are more elaborated.  For example they allow arrays of data to
+be extracted from the OC library, I do not know how to do this in C.
+
+Good luck and do not hesitate to ask questions and suggest changes.
+
+[email protected]
+