naromero

Index: lcao/eigensolver.py===================================================================--- lcao/eigensolver.py	(revision 5634)+++ lcao/eigensolver.py	(working copy)@@ -13,7 +13,7 @@         self.root = root         # Keep buffers? -    def diagonalize(self, H_MM, S_MM, eps_n, kpt):+    def diagonalize(self, H_MM, eps_n, kpt, S_MM):         return diagonalize(H_MM, eps_n, b=S_MM, root=self.root)  @@ -22,7 +22,7 @@     def __init__(self):         pass # keep buffers? -    def diagonalize(self, H_MM, S_MM, eps_n, kpt):+    def diagonalize(self, H_MM, eps_n, kpt, S_MM):         return diagonalize(H_MM, eps_n, S_MM)  @@ -129,8 +129,8 @@         diagonalizationstring = self.diagonalizer.__class__.__name__         self.timer.start(diagonalizationstring) -        info = self.diagonalizer.diagonalize(self.H_MM, S_MM, self.eps_n,-                                             kpt)+        info = self.diagonalizer.diagonalize(self.H_MM, self.eps_n,+                                             kpt, S_MM)         if info != 0:             raise RuntimeError('Failed to diagonalize: info=%d' % info)         self.timer.stop(diagonalizationstring)