More functionality for +postDMFT

> energy U-driven lines

+postDMFT/energy_line.m

@@ -0,0 +1,40 @@
+function [ids,ens,U_list]  = energy_line(U_LIST)
+%% Getting a list of energy values, from directories.
+%  U_LIST: an array of values for Hubbard interaction U (could be empty!)
+%  ids: a cell of strings, the QcmPlab names for the pot-energy terms 
+%  ens: a cell of float-arrays, corresponding to the names above
+%  ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+    global ignUlist
+    if isempty(U_LIST) || ignUlist == true
+       [U_LIST, ~] = get_list('U'); 
+    else
+       U_LIST = sort(U_LIST);
+    end
+    % Then we can proceed spanning all the U-values
+    Nu = length(U_LIST);
+    cellEn = cell(Nu,1);
+    for iU = 1:length(U_LIST)
+        U = U_LIST(iU);
+        UDIR= sprintf('U=%f',U);
+        if ~isfolder(UDIR)
+           errstr = 'U_list file appears to be inconsistent: ';
+           errstr = [errstr,UDIR];
+           errstr = [errstr,' folder has not been found.'];
+           error(errstr);
+        end
+        cd(UDIR); 
+        [ids, cellEn{iU}] = get_energies();
+        cd('..');
+    end
+    % We need some proper reshaping
+    Nids = length(ids);
+    ens = cell(1,Nids);
+    for jEn = 1:Nids
+        ens{jEn} = zeros(Nu,1);
+        for iU = 1:Nu
+           ens{jEn}(iU) = cellEn{iU}(jEn);
+        end
+    end
+    U_list = U_LIST;
+end
+

+postDMFT/get_energies.m

@@ -0,0 +1,15 @@
+function [names, energies] = get_energies()
+%% Getting all information from energy_last.ed and energy_info.ed
+%  names: a cell of strings, the QcmPlab names for the pot-energy terms
+%  energies: an array of float values, corresponding to the names above
+%  ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+    names = readcell('energy_info.ed','FileType','fixedwidth');
+    names(strcmp(names,'#'))=[];
+    for i = 1:length(names)
+        tempstr = names{i};                 % Temporary string variable
+        head = sscanf(tempstr,'%d');        % Extracts the initial integer
+        head = int2str(head);               % Int to Str conversion
+        names{i} = erase(tempstr,head);     % Proper beheading ;D
+    end
+    energies = load('energy_last.ed');
+end

+postDMFT/kinetic_line.m

@@ -0,0 +1,39 @@
+function [kins,U_list]  = kinetic_line(U_LIST)
+%% Getting a list of energy values, from directories.
+%  U_LIST: an array of values for Hubbard interaction U (could be empty!) 
+%  kins: an array of values for Kinetic energies, forall U
+%  ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+    global ignUlist
+    if isempty(U_LIST) || ignUlist == true
+       [U_LIST, ~] = get_list('U'); 
+    else
+       U_LIST = sort(U_LIST);
+    end
+    % Then we can proceed spanning all the U-values
+    Nu = length(U_LIST);
+    kins = zeros(Nu,1);
+    for iU = 1:length(U_LIST)
+        U = U_LIST(iU);
+        UDIR= sprintf('U=%f',U);
+        if ~isfolder(UDIR)
+           errstr = 'U_list file appears to be inconsistent: ';
+           errstr = [errstr,UDIR];
+           errstr = [errstr,' folder has not been found.'];
+           error(errstr);
+        end
+        cd(UDIR); 
+
+        % The dmft_kinetic_energy.dat file has a weird structure...
+        strCell = readcell('dmft_kinetic_energy.dat'); % cell of strings
+        tempStr = strCell{1};                          % single string
+        tempVec = sscanf(tempStr,'%f');                % extract all the %f
+        kins(iU) = tempVec(1); % For sure the 1st value is the total K.E.
+
+        cd('..');
+    end
+
+    U_list = U_LIST;
+end
+
+
+

+postDMFT/extract_line.m → +postDMFT/observables_line.m

@@ -1,4 +1,4 @@
-function [ids,obs,U_list] = extract_line(U_LIST)
+function [ids,obs,U_list] = observables_line(U_LIST)
 %% Getting a list of variable values, from directories.
 %  U_LIST: an array of values for Hubbard interaction U (could be empty!)
 %  ids: a cell of strings, the QcmPlab names of the observables 
@@ -37,3 +37,4 @@
     end
     U_list = U_LIST;
 end
+