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Ruberhauptmann/square-lattice-dmft-calculations

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DMFT calculations on the attractive Hubbard model on a square lattice

Rerun extraction of order parameter vs beta (for example when new data is available):

datalad rerun extract-OP-vs-beta

This is a git tag for a datalad run command!

Rerun of creation of plots for OP vs beta (for example when new data is available):

datalad rerun plot-OP-vs-beta

Rerun extraction of T_C vs U:

datalad rerun extract-T_C-vs_U

Rerun plot of T_C vs U:

datalad rerun plot-T_C-vs_U

General

Need self and ctqmc compiled, also a version of init with the number of processors, so e.g. init_48

Need to set up a conda environment with datalad and jinja2 (for templating the input file) installed

In datalad command: --explicit to only save the results, not the changes to .gitattributes etc.

TODO

  • define conda environemt with datalad and jinja2
  • Docs
    • Better overview for all the parts in code/
    • Better readme:
      • How does a run go?
      • How to acquire the results?
  • put everything into a bootstrapping script/cookiecutter

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