ED.py 文件源码

def set(self,gse):
        '''
        Set the Lambda matrix, Q matrix and QT matrix of the block.

        Parameters
        ----------
        gse : number
            The groundstate energy.
        '''
        sign=self.controllers['sign']
        if self.method=='S':
            lczs,Qs=self.controllers['lczs'],self.controllers['Qs']
            self.data['niters']=np.zeros(Qs.shape[0],dtype=np.int32)
            self.data['Lambdas']=np.zeros((Qs.shape[0],Qs.shape[2]),dtype=np.float64)
            self.data['Qs']=np.zeros(Qs.shape,dtype=Qs.dtype)
            self.data['QTs']=np.zeros((Qs.shape[0],Qs.shape[2]),dtype=Qs.dtype)
            for i,(lcz,Q) in enumerate(zip(lczs,Qs)):
                E,V=sl.eigh(lcz.T,eigvals_only=False)
                self.data['niters'][i]=lcz.niter
                self.data['Lambdas'][i,0:lcz.niter]=sign*(E-gse)
                self.data['Qs'][i,:,0:lcz.niter]=Q[:,0:lcz.niter].dot(V)
                self.data['QTs'][i,0:lcz.niter]=lcz.P[0,0]*V[0,:].conjugate()
        else:
            lanczos=self.controllers['lanczos']
            E,V=sl.eigh(lanczos.T,eigvals_only=False)
            self.data['Lambda']=sign*(E-gse)
            self.data['Q']=lanczos.P[:min(lanczos.nv0,lanczos.niter),:].T.conjugate().dot(V[:min(lanczos.nv0,lanczos.niter),:])
            self.data['QT']=HM.dagger(self.data['Q'])