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27.1 Installing MRCC

A file mrcc.tar.gz will be provided by by M. Kallay. It should be copied to the top level Molpro directory, then unpacked and built in the following way:

mkdir mrcc
tar -C mrcc -xzf mrcc.tar.gz
make mrcc
which will compile the MRCC program and link the MRCC executables into the MOLPRO bin directory which from here are automatically called by MOLPRO. Orbitals and other input information are communicated via external files, transparent to the user. Once the program is installed, please run make mrcctest in testjobs directory.



molpro@molpro.net 2014-09-17