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Comments in MOLCAS input (Read 2150 times)
Gerrit-Jan Linker
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Comments in MOLCAS input
21.09.08 at 20:51:48
 
Comments in MOLCAS input
 
To comment out parts of MOLCAS input and job files is something I do frequently. In job files you can just use the normal comments in unix. If you start a line with a # symbol in a job/script file it is commented out.  
In an input file a line can be commented out with a *. However I noticed that between the input for the MOLCAS programs you cannot use a * to comment out a line. Sometimes I use a unix command between running MOLCAS programs using the ! notation. To comment these out you cannot use a *. I found that a !# will still execute the line but the command is a commented out unix call. A workaround. Perhaps there is another way to do this properly...
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Gerrit-Jan Linker
Linker IT Software
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