General programs: Difference between revisions

Revision as of 14:55, 12 January 2011

You can find the definition of RDF in the following:

Name: x.RDF

Launching: x.RDF > output (in output some details of the calculation are reported)

Output file: Global.dat, fort.X (see below)

Used files/subprograms: none

1) First of all, download the program:

      File:Cell.tgz

uncompress it and compile it: f77 Cell.f -o x.Cell. Place it in a directory of your choice (for simplicity, named directory A).

2) Download the script:

      File:Ngeom.tgz

and uncompress it.

3) CHANGE IN LINE 14 OF ngeom.sh path=/home/lbellarosa/src/complex/Cell with the path of where you put your directory A.

4) Now you can run the script typing:

      ngeom.sh OUTCAR

@@ Line 1: / Line 1: @@
-== F77 General Program ==
+go back to [[Main Page]], [[Computational Resources]], [[Scripts]]
-* RADIAL DISTRIBUTION FUNCTION
+== F77 General Programs ==
+* RADIAL DISTRIBUTION FUNCTION (RDF)
+You can find the definition of RDF in the following:
 http://rings-code.sourceforge.net/index.php?option=com_content&view=article&id=50:rdf&catid=36:phy-chi&Itemid=58
+'''Name''': x.RDF
+'''Launching''': ''x.RDF > output'' (in ''output'' some details of the calculation are reported)
+'''Output file''': ''Global.dat'', ''fort.X'' (see below)
+'''Used files/subprograms''': ''none''
+== INSTALLATION STEPS ==
+) First of all, download the program:
+       [[Image:Cell.tgz]]
+uncompress it and compile it: ''f77 Cell.f -o x.Cell''. Place it in a directory of your choice (for simplicity, named directory A).
+) Download the script:
+       [[Image:ngeom.tgz]]
+and uncompress it.
+) CHANGE IN LINE 14 OF ''ngeom.sh'' ''path=/home/lbellarosa/src/complex/Cell'' with the path of where you put your directory A.
+) Now you can run the script typing:
+       ngeom.sh OUTCAR