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Committer:
Alberto Garcia
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Date:
2007-05-18 14:24:18 UTC
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mfrom:
(unknown (missing))
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Revision ID:
Arch-1:siesta@uam.es--2006%siesta-devel--reference--2.1--patch-58
Refinements of XML tester. New ioncat program
Eduardo Anglada's bugfixes to the XML tester package:
* Apply bugfixes to compare_m.f90.
* Initialize variable 'len' in m_reader.f90 to suit buggy compilers.
* Use the 'normalize' DOM function to consolidate adjacent text nodes.
(rather than changing the pcdata processing in the SAX parser).
* Add removal of tolerances.dat and diff output to the 'clean' target
in test.mk
New features:
* Use the command-line options processor. Valid options:
-d : enable debugging output.
-t FILE : specify tolerances file.
-g LOGTOL: specify (minus log10 of) global tolerance
-s : stop after first error
-e NUM : stop after NUM errors
* By default, the tester does not stop after errors.
* Enhance xmlparser/Tests/compare.sh to accept options.
* Modified f2kcli.F90 to fit gfortran (this compiler
already implements all the functionality, so a
preprocessor symbol is used to disable the module).
* Added Src/Sys/gfortran.make
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* New program "ioncat" in Src to analyze the content of .ion files.
Usage: ioncat [options] Species_Label
Options:
-s : Show header information
-i : Print indexes of unique orbitals
-j : Print indexes of unique KB projectors
-o ORBINDEX : Generate table for orbital ORBINDEX
-k KBINDEX : Generate table for KB proj KBINDEX
-v : Generate table for Vna potential
-Z : Zoom in near rc for table generation
-h : Print this help message
The accompanying script ionplot.sh shows how to drive
ioncat to plot the results.