FBFM.py 文件源码

def FBFMEB(engine,app):
    '''
    This method calculates the energy spectrums of the spin excitations.
    '''
    path,ne=app.path,min(app.ne or engine.nmatrix,engine.nmatrix)
    if path is not None:
        bz,reciprocals=engine.basis.BZ,engine.lattice.reciprocals
        parameters=list(path('+')) if isinstance(path,HP.BaseSpace) else [{'k':bz[pos]} for pos in bz.path(HP.KMap(reciprocals,path) if isinstance(path,str) else path,mode='I')]
        result=np.zeros((len(parameters),ne+1))
        result[:,0]=path.mesh(0) if isinstance(path,HP.BaseSpace) and path.mesh(0).ndim==1 else np.array(xrange(len(parameters)))
        engine.log<<'%s: '%len(parameters)
        for i,paras in enumerate(parameters):
            engine.log<<'%s%s'%(i,'..' if i<len(parameters)-1 else '')
            m=engine.matrix(**paras)
            result[i,1:]=sl.eigh(m,eigvals_only=False)[0][:ne] if app.method=='eigh' else HM.eigsh(m,k=ne,return_eigenvectors=False)
        engine.log<<'\n'
    else:
        result=np.zeros((2,ne+1))
        result[:,0]=np.array(xrange(2))
        result[0,1:]=sl.eigh(engine.matrix(),eigvals_only=True)[:ne] if app.method=='eigh' else HM.eigsh(engine.matrix(),k=ne,return_eigenvectors=False)
        result[1,1:]=result[0,1:]
    name='%s_%s'%(engine.tostr(mask=path.tags if isinstance(path,HP.BaseSpace) else ()),app.name)
    if app.savedata: np.savetxt('%s/%s.dat'%(engine.dout,name),result)
    if app.plot: app.figure('L',result,'%s/%s'%(engine.dout,name))
    if app.returndata: return result