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Full configuration interaction on quantum dots by Simen Kvaal.

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OpenFCI by Simen Kvaal

Quick links: documentation, releases.

This is a fork of OpenFCI to fix various bugs.

Dependencies

  • C, C++, and Fortran compilers.

  • ARPACK: can usually be installed via the package manager. If you want to install it manually, consider downloading this version instead.

  • LAPACK: widely available and can be installed via the package manager.

  • LAPACK Plus Plus: this is a header-only library. Simply download lpp.0.2.b, extract, and run:

    make HEADERDEST=/usr/local/include
    

    Substitute /usr/local with wherever you want it to be installed. If you choose to install it in an unusual location such as /home/alice, make sure the include directory is present in the CPLUS_INCLUDE_PATH variable. If it isn't, run:

    CPLUS_INCLUDE_PATH=/home/alice/include:$CPLUS_INCLUDE_PATH
    export CPLUS_INCLUDE_PATH
    

Installation

Download a pre-packaged release and then run:

./configure --prefix=/usr/local
make
make install

Substitute /usr/local with wherever you want it to be installed.

If you want to build directly from the source tree rather than download one of the pre-packaged releases, you will need to first generate ./configure using autotools:

autoreconf -i