============================================================= T O S C A M - Toolbox for Strongly Correlated Approaches to Molecules - ============================================================= Authors: Cedric Weber and Edward Linscott This is distrubuted under the GNU Lesser General Public License ------------------------------------------------------------- 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. ------------------------------------------------------------- Website: https://github.com/elinscott/toscam ------------------------------------------------------------- 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 ------------------------------------------------------------- For installation instructions, see INSTALL -------------------------------------------------------------
bhourahine/toscam
Toolbox for performing linear-scaling density functional theory + dynamical mean field theory
Fortran