i will like to modified some files with the extension .gjf . All this files have in first line this #P PM3 Opt and i want to change that to this :
in order to do that i have try to do a script with the sed command but i really don't know how to insert %nproc=2 in line N°1, %chk=filename.chk in line N°2 and #p B3LYP /6-31G** opt in line N°3 . The script that i have wrote is
but this change the text #P PM3 Opt by nproc=2 %chk=$n.chk #p B3LYP / 6-31G** opt all this text in the first line.
i will be very grateful if some one of the forum can help me in solve this problem.
thank you very much .
Last edited by Scott; 12-17-2010 at 02:10 PM..
Reason: Please use code tags
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LEARN ABOUT DEBIAN
mummy
MUMMY(1) User Commands MUMMY(1)NAME
mummy - generate C# wrappers from C++ code.
SYNOPSIS
mummy [options] files...
DESCRIPTION
mummy is a command line executable that generates C# wrappers from gccxml output. A C# class is generated to wrap the wrappable class named
in the gccxml output. Settings to control the wrapping are given inline directly in the class header file or in the MummySettings.xml input
file.
mummy version 1.0.2 (revision 599)
Command line options:
--csharp-file opt
C# output file. Default value is 'ClassName.cs' in the current directory.
--csharp-unit-test-file opt
C# output file. Default value is 'ClassNameUnitTest.cs' in the current directory.
--export-layer-file opt
C++ output file. Default value is 'ClassNameEL.cxx' in the current directory.
--gccxml-file opt
Input file (output of gccxml) describing class to be wrapped. Required.
--help Display (this) detailed help information.
--settings-file opt
Input file describing mummy configuration settings, including the set of wrapped classes. Required.
--suppress-warnings opt opt ...
Space separated list of warning numbers to suppress.
--verbose
Overwhelm me with output, I don't have enough reading material... ;)
--version
Display the program version.
AUTHORS
This manual page was written by Mathieu Malaterre <malat@debian.org>, for the Debian project (and may be used by others).
SEE ALSO cableidx(1), gccxml(1).
mummy version 1.0.2 (revision 599) December 2011 MUMMY(1)