bhourahine / toscam

Toolbox for performing linear-scaling density functional theory + dynamical mean field theory

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                        T O S C A M

 - Toolbox for Strongly Correlated Approaches to Molecules -

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 Authors:
 Cedric Weber and Edward Linscott

 This is distrubuted under the GNU Lesser General Public
 License

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 Please cite:
    E. B. Linscott, D. J. Cole, N. D. M. Hine, M. C. Payne, 
    & C. Weber
    ONETEP + TOSCAM: uniting dynamical mean field theory and
    linear-scaling density functional theory
    (2019) arXiv:1911.07752.

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 Website: https://github.com/elinscott/toscam

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 Directory Structure

 bin/       contains all compiled TOSCAM executables for 
            running TOSCAM as well as pre- and 
            post-processing

 config/    configuration files for compilation on different
            architectures

 docs/      Documentation (to install, you may need to run
            `git submodule init && git submodule update`)

 src/       Fortran source code

 tests/     Quality control tests

 utils/     Bash scripts

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 For installation instructions, see INSTALL

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