Example for the usage of the library scripts

New subroutines can be included in the library with the script "IncludeInLibrary". First the source of the new subroutine has to be copied to /archive/source/ on the DFT account. Next a program that is testing this subroutine needs to be copied to /archive/examples/. It is absolutely neccesary to provide this testing program for the new subroutine. Without it the update of the library will fail! Once both files have been copied to their destination they can be included in the library in the following form:
heiko@miraculix:~/archive/source > IncludeInLibrary mindless
Note that the argument for the script "IncludeInLibrary" is only the file name without the extension ".f". The script will modify all makefiles, compile the new soubroutine, archive the generated object file in the library file "libdft.a", compile the testing program, run the testing program to produce its output, save this output for the corresponding HTML file and finally update all HTML files.
heiko@miraculix:~/archive/source > IncludeInLibrary mindless

Check if name for your subroutine has already been used ...
Creating descriptionfile for mindless.txt ...
Including mindless in file and subject List ...

Available subjects are:
  1.  Density calculations and manipulations
  2.  Hooke's atom subroutines
  3.  Includable files, with parameters and commons
  4.  Non-interacting kinetic energy
  5.  Main programs
  6.  Matrix manipulations routines
  7.  Miscellanous numerical methods, mostly calculus
  8.  Calculations of potentials and expectation values
Please choose the subject for the routine "mindless":       
To assign the new subroutine to one of the availiable subjects type the corresponding number of the desired subject when prompted.

If some subroutines become obsolete or need to be replaced by newer versions they can be removed from the library. For this purpose the script "RemoveFromLibrary" is availbale. It removes the subroutine from the library file "libdft.a" and all occurences in the HTML files are deleted. Again only the file name without extension is used as argumet for the script, e.g.
heiko@miraculix:~/archive/source > RemoveFromLibrary mindless
To remove all subroutines from the library you can use the script "RemoveAll":
heiko@miraculix:~/archive/source > RemoveAll


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Last Modified: November 29, 1999
Heiko Appel, email: appel@physics.rutgers.edu