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Yi-Xin (Eshin) Liu committed 520c7f8

2D group: P2mm tested.

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Files changed (6)

 Here you can see the full list of changes between each gyroid release.
 
 
-Version 0.2
+Version 0.4
+-----------
+
+* Add more symmetry groups, namely #1-#6 in 2D, and #229 in 3D.
+* Fix a serious bug within basis._select_waves related to G^2 comparison.
+* Other small fixes.
+
+
+Version 0.3
 -----------
 
 * Basis.generate_structure now be replaced by Basis.generate_structure_by_fft. It is much faster.

docs/_themes/flask/layout.html

   {% endif %}
   <link media="only screen and (max-device-width: 480px)" href="{{
     pathto('_static/small_flask.css', 1) }}" type= "text/css" rel="stylesheet" />
+    <script type="text/javascript">
+
+        var _gaq = _gaq || [];
+        _gaq.push(['_setAccount', 'UA-31783224-2']);
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+        })();
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+    </script>
 {% endblock %}
 {%- block relbar2 %}{% endblock %}
 {% block header %}
 # built documents.
 #
 # The short X.Y version.
-version = '0.3'
+version = '0.4'
 # The full version, including alpha/beta/rc tags.
-release = '0.3'
+release = '0.4'
 
 # The language for content autogenerated by Sphinx. Refer to documentation
 # for a list of supported languages.
 
         if np.size(real_grid) != self.dim:
             raise ValueError('Dimension of input grid and dimension '
-                             'of Group not match'
+                             'of Group not match '
                              'when generating structure.')
         if np.size(c) == 1:
            cc = c
            c = np.zeros(self.N)
            c.fill(cc)
         elif np.size(c) != self.N:
-            raise ValueError('Number of Bases and number of coefficients'
+            raise ValueError('Number of Bases and number of coefficients '
                              'not match when generating structure.')
 
+        if np.all(abs(real_grid-grid.N) > EPS):
+            raise ValueError('The input grid size other than '
+                             'that in Grid object is current not'
+                             'supported!')
         c_fft = self.sabf2fft(c,real_grid,grid)
         return np.fft.ifftn(c_fft).real
 
 gyroid
 ======
 
-**gyroid** is a python package that generates *symmetry adapted basis functions* based on the space group of a unit cell. 
+**gyroid** is a python package that generates *symmetry adapted basis functions* based on the space group of a unit cell.
 
 Quickstart
 ----------
 
 setup(
     name='gyroid',
-    version='0.3',
+    version='0.4',
     license='BSD',
     description='A symmetry adapted basis function (SABF) generator.',
     author='Yi-Xin Liu',
     b = "Bravais"
     N1,N2 = 128,128
 
-    uc = UnitCell(2,HEXAGONAL,np.array([1.0]))
+    uc = UnitCell(2,RECTANGULAR,np.array([1.0,1.2]))
     #print uc.__dict__
-    g1 = Group(2,b,uc.shape,"P6mm")
+    g1 = Group(2,b,uc.shape,"P2mm")
     #print g1.__dict__
-    gd1 = Grid(np.array([128,128]),g1)
-    gd1.lowBZ = -8
-    gd1.highBZ = 8
+    gd1 = Grid(np.array([N1,N2]),g1)
+    #gd1.lowBZ = -8
+    #gd1.highBZ = 8
     bs = Basis(g1,gd1)
     #for s in bs.stars:
         #print s.__dict__