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To install CFOUR, the following commands should be executed

gunzip cfour_v1*.tar.gz
tar xvf cfour_v1*.tar
cd cfour_v1*
configure (for options, try configure --help or see examples)

The executables are then created directly from the source and are placed into the subdirectory bin (path/to/cfour/bin). The command (with the required permissions)

make install

puts the executables in the directory /usr/local/cfour/bin.

For further details concerning compilation and installation of CFOUR see the file INSTALL in the top-level directory of CFOUR.
The requirements to install CFOUR are that:

   a) Fortran and C/C++ compilers are installed,
   b) a Blas libary is installed. ( If there is no blas libary follow this link )

Finally, for routine usage of CFOUR, it is necessary to include the location of the CFOUR executables (xcfour, xjoda, ...) in the path so that these modules can be directly invoked.

The basis-set file GENBAS can be found in the directory path/to/cfour/basis (additional basis sets are easily downloaded in correct format from EMSL (, so far please use the ACESII Format).

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Page last modified on May 21, 2022, at 08:46 AM
CFOUR is partially supported by the U.S. National Science Foundation.