Update develeopment

dev/sw_release.m

@@ -130,14 +130,21 @@ function sw_release(verNum, tempDir)
 % files with '~' and 'sw_release.m' file
 fList = rdir('**/*');
 fListZip = {};
+if ispc
+    sp = '\';
+else
+    sp = '/';
+end
+dirname = [pwd sp];
 
 for ii = 1:numel(fList)
     if (~any(strfind(fList(ii).name,[filesep '.']))) && (~any(strfind(fList(ii).name,'~'))) ...
             && (~any(strfind(fList(ii).name,[filesep 'dev' filesep]))) ...
             && (~any(strfind(fList(ii).name,[filesep 'docs' filesep]))) ...
             && (~any(strfind(fList(ii).name,[filesep 'test' filesep]))) ...
-            && (~any(strfind(fList(ii).name,[filesep 'tutorials' filesep])))
-        fListZip{end+1} = fList(ii).name;
+            && (~any(strfind(fList(ii).name,[filesep 'tutorials' filesep]))) ...
+            && (~any(strfind(fList(ii).folder,'git')))
+        fListZip{end+1} = [replace(fList(ii).folder, dirname, '') sp fList(ii).name];
     end
 end
 

external/eigorth.m

@@ -47,7 +47,7 @@
 % Use OpenMP parallelised mex file if it exists
 if nStack>1 && useMex
     % eigenvalues are already orthogonalised by eig_omp
-    [V, D] = eig_omp(M,'orth');
+    [V, D] = eig_omp(M,'orth','sort','descend');
     return
 end
 

external/mtimesx/mtimesx.m → external/mtimesx/sw_mtimesx.m

@@ -262,6 +262,7 @@
 % 
 % ---------------------------------------------------------------------------------------------------------------------------------
 
+%{
 function varargout = mtimesx(varargin)
 
 %\
@@ -277,3 +278,4 @@
 [varargout{1:nargout}] = mtimesx(varargin{:});
 
 end
+%}

swfiles/@spinw/addatom.m

@@ -124,7 +124,7 @@ function addatom(obj, varargin)
 
 inpForm.fname  = [inpForm.fname  {'bx'   'formfactn' 'formfactx' 'b'    'formfact' 'A'    'Z'   }];
 inpForm.defval = [inpForm.defval {[]     []          []          []     []         []     []    }];
-inpForm.size   = [inpForm.size   {[1 -7] [-8 -9]     [-8 -9]     [1 -7] [-8 -9]    [1 -7] [1 -7]}];
+inpForm.size   = [inpForm.size   {[1 -7] [-1 -9]     [-1 -10]    [1 -7] [-8 -9]    [1 -7] [1 -7]}];
 inpForm.soft   = [inpForm.soft   {true    true       true         true  true       true   true  }];
 
 newAtom = sw_readparam(inpForm, varargin{:});
@@ -324,7 +324,7 @@ function addatom(obj, varargin)
     newAtom.formfactx = {newAtom.formfactx};
 end
 if iscell(newAtom.formfactx)
-    [~,newAtom.ffx] = sw_cff(newAtom.fromfactx);
+    [~,newAtom.ffx] = sw_cff(newAtom.formfactx);
     %newAtom.ffx = permute(newAtom.ffx,[3 2 1]);
 elseif ~isempty(newAtom.formfactx)
     newAtom.ffx = newAtom.formfactx;
@@ -339,7 +339,11 @@ function addatom(obj, varargin)
 newAtom.b  = ones(2,nNewAtom);
 
 % get neutron scattering length
-newAtom.b(1,:) = sw_nb(newAtom.label);
+if isempty(newAtom.bn)
+    newAtom.b(1,:) = sw_nb(newAtom.label);
+else
+    newAtom.b(1,:) = newAtom.bn;
+end
 
 
 newAtom.Z  = int32(newAtom.Z);
@@ -409,4 +413,4 @@ function addatom(obj, varargin)
     warning('spinw:addatom:WrongInput','Occupancy on some site is larger than 1!')
 end
 
-end
+end

swfiles/@spinw/genmagstr.m

@@ -296,7 +296,7 @@ function genmagstr(obj, varargin)
     % default value
     param.n = repmat([0 0 1],[nK 1]);
 end
-n = bsxfun(@rdivide,param.n,sqrt(sum(param.n.^2,2)));
+n = bsxfunsym(@rdivide,param.n,sqrt(sum(param.n.^2,2)));
 
 if size(param.n,1) ~= nK
     error('spinw:genmagstr:WrongInput',['The number of normal vectors has'...

swfiles/@spinw/horace.m

@@ -100,6 +100,14 @@
 %   * `fid` File ID provided by the `fopen` command, the output is written
 %           into the opened file stream.
 %
+% `'useFast'`
+% : whether to use the spinw.spinwavefast method or not. This method 
+%           is similar to spinw.spinwave but calculates only the unpolarised
+%           neutron cross-section and ignores all negative energy branches
+%           as well as using other shortcuts. In general it should produce
+%           the same spectra as spinw.spinwave, with some rounding errors,
+%           but can be 2-3 times faster and uses less memory.
+%
 % ### Output Arguments
 % 
 % `w`
@@ -122,13 +130,25 @@
     return
 end
 
-inpForm.fname  = {'component' 'norm' 'dE'  'parfunc'      'param' 'func' 'fid'};
-inpForm.defval = {'Sperp'     false  0     @obj.matparser []      []     -1   };
-inpForm.size   = {[1 -1]      [1 1]  [1 1] [1 1]          [1 -2]  [1 1]  [1 1]};
-inpForm.soft   = {false       false  false false          true    true   false};
+inpForm.fname  = {'component' 'norm' 'dE'  'parfunc'      'param' 'func' 'fid' 'useFast'};
+inpForm.defval = {'Sperp'     false  0     @obj.matparser []      []     -1    1};
+inpForm.size   = {[1 -1]      [1 1]  [1 1] [1 1]          [1 -2]  [1 1]  [1 1] [1 1]};
+inpForm.soft   = {false       false  false false          true    true   false false};
 
 warnState = warning('off','sw_readparam:UnreadInput');
-param = sw_readparam(inpForm, varargin{:});
+% To handle matlab fitting syntax, which may set the first argument to the 
+% fittable parameter (without keyword). 
+if ~ischar(varargin{1})
+    param = sw_readparam(inpForm, varargin{2:end});
+    if isempty(param.param)
+        varargin = [varargin {'param'} varargin(1)];
+    end
+    % always override keyword specified parameters
+    param.param = varargin{1};
+    varargin(1) = []; 
+else
+    param = sw_readparam(inpForm, varargin{:}); 
+end
 pref = swpref;
 
 if ~isempty(param.param)
@@ -158,24 +178,6 @@
     param.func(obj);
 end
 
-% calculate spin wave spectrum
-if nargin > 5
-    % include the fitmode option to speed up calculation
-    if numel(varargin) == 1
-        varargin{1}.fitmode = 2;
-        spectra = obj.spinwave([qh(:) qk(:) ql(:)]',varargin{1});
-    else
-        spectra = obj.spinwave([qh(:) qk(:) ql(:)]',varargin{:},'fitmode',true);
-    end
-else
-    spectra = obj.spinwave([qh(:) qk(:) ql(:)]','fitmode',true);
-end
-warning(warnState);
-
-% calculate Sperp
-spectra = sw_neutron(spectra,'pol',false);
-
-
 % parse the component string
 if iscell(param.component)
     nConv = numel(param.component);
@@ -193,17 +195,63 @@
     param.component = {param.component};
 end
 
+needSab = false;
+for ii = 1:numel(parsed)
+    par0 = parsed{ii};
+    for jj = 1:length(par0.type)
+        if par0.type{jj}(1) ~= 1
+            needSab = true;
+            break;
+        end
+    end
+end
+
+% calculate spin wave spectrum
+if nargin > 5
+    % include the fitmode option to speed up calculation
+    if numel(varargin) == 1
+        varargin{1}.fitmode = 2;
+        if needSab || ~param.useFast
+            spectra = obj.spinwave([qh(:) qk(:) ql(:)]',varargin{1});
+        else
+            spectra = obj.spinwavefast([qh(:) qk(:) ql(:)]',varargin{1});
+        end
+    else
+        if needSab || ~param.useFast
+            spectra = obj.spinwave([qh(:) qk(:) ql(:)]',varargin{:},'fitmode',true);
+        else
+            spectra = obj.spinwavefast([qh(:) qk(:) ql(:)]',varargin{:},'fitmode',true);
+        end
+    end
+else
+    if needSab || ~param.useFast
+        spectra = obj.spinwave([qh(:) qk(:) ql(:)]','fitmode',true);
+    else
+        spectra = obj.spinwavefast([qh(:) qk(:) ql(:)]','fitmode',true);
+    end
+end
+warning(warnState);
+
+% calculate Sperp
+if needSab || ~param.useFast
+    spectra = sw_neutron(spectra,'pol',false);
+end
+
 % pack all cross section into a cell for easier looping
 if iscell(spectra.omega)
     nTwin = numel(spectra.omega);
     omega = spectra.omega;
-    Sab   = spectra.Sab;
+    if needSab
+        Sab   = spectra.Sab;
+    end
     Sperp = spectra.Sperp;
 
 else
     nTwin = 1;
     omega = {spectra.omega};
-    Sab   = {spectra.Sab};
+    if needSab
+        Sab   = {spectra.Sab};
+    end
     Sperp = {spectra.Sperp};
 end
 
@@ -278,4 +326,4 @@
 % intensity in cell
 s = mat2cell(DSF' ,nHkl,ones(nMode*nTwin,1));
 
-end
+end