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store

The store macro provides a convenient way of moving data back from the execute sub-directory to the data sub-directory. It invokes the unix commands:

mkdir ../data/TEST$1
mv OUTPUT ../data/TEST$1/OUTPUT
mv REVCON ../data/TEST$1/REVCON
mv STATIS ../data/TEST$1/STATIS
mv REVIVE ../data/TEST$1/REVIVE
mv RDFDAT ../data/TEST$1/RDFDAT
mv ZDNDAT ../data/TEST$1/ZDNDAT
chmod 400 ../data/TEST$1/*

which first creates a new DL_POLY data/TEST.. sub-directory and then moves the standard DL_POLY output data files into it.

store requires one argument:
 
store n
 
where n is a unique string or number to label the output data in the data/TESTn sub-directory.

Note that store sets the file access to read-only. This is to prevent the store macro overwriting existing data without your knowledge.



W Smith 2003-05-12