diff --git a/+runDMFT/README.md b/+runDMFT/README.md index 7b837c2..e22ea33 100644 --- a/+runDMFT/README.md +++ b/+runDMFT/README.md @@ -1,32 +1,31 @@ -# RunningDMFT +# `runDMFT` Running QcmPlab DMFT codes from MATLAB ---------- -### Choose your favorite workflow: +### Choose your favorite workflow #### Production -- `_dry.m` The most basic scenario: linear increase of U, no feedback, just some noninvasive check of convergence to flag out, _a posteriori_, which points should be discarded. +- `dry_line()` The most basic scenario: linear increase of U, no feedback, just some noninvasive check of convergence to flag out, _a posteriori_, which points should be discarded. -- `_autostop.m` Basic linspace in U, without any feedback mechanism. Stops when dmft does not converge (to avoid wasting cpu-time). +- `autostop_line()` Basic linspace in U, without any adaptive feedback mechanism. Just stops the moment dmft does not converge (to avoid wasting cpu-time). -- `_autostep.m` Gradually increases U by feedback-controlled steps, i.e. if dmft does not converge the point is discarded and the step reduced. Self-mixing is fixed (but you might update it manually, on the flight). +- `autostep_line()` Gradually increases U by feedback-controlled steps, i.e. if dmft does not converge the point is discarded and the step reduced. Self-mixing is fixed (as every other control variable). #### Refinement -- `_refresh.m` Systematically enters the folder structure of a pre-existent calculation and uses the given restart and input files to perform some additional dmft loops. Useful if something has been added to the driver. +- `refresh_line()` Systematically enters the folder structure of a pre-existent calculation and uses the given _used_ files as a _restart_ to perform some additional dmft loops. Useful if something has been added to the driver. [WORK-IN-PROGRESS, see [Issue #1](https://github.com/bellomia/DMFT-LAB/issues/1)] #### Testing & Setup -- `_livemixing.m` Interactive-ish workflow: on-the-flight manual updates of the mixing ratio, while dmft waits for you (in a dumb way); Hubbard steps are inevitably fixed. +- `interactive_line()` Interactive-ish workflow: on-the-flight manual updates of the inputfile, while dmft waits for you (in a dumb way); Hubbard steps are inevitably fixed. +---------- -#### Work-in-Progress & To-Do - -- [ ] `_automixing.m` Automatic controll of self-mixing. Requires inspecting evolution of the dmft error, could be cumbersome. +### TODO -- [ ] `_ai.m` Automatic control of both self-mixing and Hubbard steps. Difficult for sure, maybe just not worth all the effort. +- [ ] `automixing_line()` Automatic control of self-mixing. Requires inspecting evolution of the dmft error, could be cumbersome (better handled at a lower level, e.g. within the dmft-loop driver: see [`adaptive_mix()`](https://github.com/QcmPlab/SciFortran/blob/master/src/SF_OPTIMIZE/adaptive_mix.f90) in SciFortran). -- [ ] `_jobarray.m` Exploiting the array-env-variables provided by `SLURM` on HPC facilities. +- [ ] `array_line()` A variant of `dry_line()` that exploits the array-env-variables provided by `SLURM` on HPC facilities. [**PRIORITY**]