Adding refresh_line() to +runDMFT [work-in-progress]

INCOMPLETE porting of RunningDMFT_refresh.m workflow: we still do not know how to move used.input* in input*, when the specific name of the inputfile is unknown (wildcards do not work with mv / movefile!)

> No moved input -> unsafe refresh, for we don't know whatever generic control variables where touched in the pre-existent calculation!

SO THIS OPENS ISSUE #1

+runDMFT/refresh_line.m

@@ -0,0 +1,80 @@
+function refresh_line(EXE,doMPI,Nnew,ignList)
+%% Refreshes a pre-existent calculation by Nnew loops
+
+    %   EXE                 : Executable driver
+    %   doMPI               : Flag to activate OpenMPI
+    %   Nnew                : How much loops to add in the refresh
+    %   ignList             : Flag to ignore the U_list.txt file
+
+    %% Open file to write/update converged U-values
+    fileID_list = fopen('U_list.txt','a');
+
+    %% Retrieve the list of the *converged* U-values
+    U_converged = unique(sort(load('U_list.txt')));
+
+    %% Build the list of all U-values or use the converged ones only
+    if isempty(U_converged) || ignList == true
+       [U_list, ~] = postDMFT.get_list('U');  
+    else
+        U_list = U_converged;
+    end
+
+    %% Phase-Line: single loop %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+
+    for U = U_list'
+
+        UDIR= sprintf('U=%f',U);       % Define the U-folder name.
+
+        if isfolder(UDIR)
+            cd(UDIR);                  % Enter the U-folder (if it exists)
+        else
+            errstr = 'U_list file appears to be inconsistent: ';
+            errstr = [errstr,UDIR];
+            errstr = [errstr,' folder has not been found.'];
+            error(errstr);
+        end
+
+        %% Move used.input into input [crucial: we do not know about ctrl-vars!]
+        % HOW TO DO THIS FOR A __GENERIC__ INPUTFILE <input*>
+        % -> wildcards do not work in mv...
+
+        %% Move *.used into *.restart [desirable: first new loop == last old loop!]
+        usedpack = dir([pwd, '/*.used']);
+        for i = 1:numel(usedpack)
+            file = fullfile(pwd, usedpack(i).name);
+            [tempDir, tempFile] = fileparts(file); 
+            movefile(file, fullfile(tempDir, [tempFile, '.restart']));
+        end
+
+        %% Run FORTRAN code (already compiled and added to PATH!) %%%%%%%%%%%%%%%%%
+        if doMPI
+            mpi = 'mpirun ';                        % Control of MPI
+        else                                        % boolean flag...
+            mpi = [];
+        end
+        HUBBARD =sprintf(' uloc=%f',U);             % OVERRIDE of Uloc
+        NLOOP = sprintf(' nloop=%d',Nnew);          % OVERRIDE of #{loops}
+        out = ' > LOG_dmft.txt';                    % STDOUT destination
+        dmft_ed_call = [mpi,EXE,HUBBARD,NLOOP,out];
+        tic
+        system(dmft_ed_call);                       % Fortran-call
+        chrono = toc;
+        file_id = fopen('LOG_time.txt','w');        % Write on time-log
+        fprintf(file_id,'%f\n', chrono);
+        fclose(file_id);
+        %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+        %% HERE WE CATCH A FAILED (unconverged) DMFT LOOP
+        if ~isfile('ERROR.README') && isempty(find(U_converged == U,1))
+            fprintf(fileID_Ulist,'%f\n', U);        % Update U-list, only
+        end                                         % if *newly* converged
+        %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+
+        cd ..                           % Exit the U-folder
+
+    end
+
+    %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+
+    fclose(fileID_list);
+
+end