# # ALPS Project: Algorithms and Libraries for Physics Simulations # # ALPS Libraries # # Copyright (C) 2010 by Brigitte Surer # 2012 by Jakub Imriska # # This software is part of the ALPS libraries, published under the ALPS # Library License; you can use, redistribute it and/or modify it under # the terms of the license, either version 1 or (at your option) any later # version. # # You should have received a copy of the ALPS Library License along with # the ALPS Libraries; see the file LICENSE.txt. If not, the license is also # available from http://alps.comp-phys.org/. # # THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR # IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, # FITNESS FOR A PARTICULAR PURPOSE, TITLE AND NON-INFRINGEMENT. IN NO EVENT # SHALL THE COPYRIGHT HOLDERS OR ANYONE DISTRIBUTING THE SOFTWARE BE LIABLE # FOR ANY DAMAGES OR OTHER LIABILITY, WHETHER IN CONTRACT, TORT OR OTHERWISE, # ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER # DEALINGS IN THE SOFTWARE. # # **************************************************************************** import pyalps #prepare the input parameters parms=[] parms.append( { 'ANTIFERROMAGNET' : 0, 'CHECKPOINT' : 'dump_int', 'CONVERGED' : 0.0025, 'CONVERGENCE_CHECK_PERIOD': 500, 'FLAVORS' : 2, 'H' : 0, 'H_INIT' : 0., 'MAX_IT' : 12, 'MAX_TIME' : 120, 'MU' : 0, 'N' : 500, 'NMATSUBARA' : 500, 'NMATSUBARA_MEASUREMENTS' : 18, 'NSELF' : 5000, 'MEASUREMENT_PERIOD' : 10, 'MU' : 0, 'OMEGA_LOOP' : 1, 'SEED' : 0, 'SITES' : 1, 'SOLVER' : 'Interaction Expansion', 'SYMMETRIZATION' : 1, 'U' : 3, 't' : 0.707106781186547, 'RECALC_PERIOD' : 3000, 'SWEEPS' : 100000000, 'THERMALIZATION' : 1000, 'ALPHA' : -0.01, 'HISTOGRAM_MEASUREMENT' : 1, 'BETA' : 32 } ) # For more precise calculations we propose to you to: # enhance the MAX_TIME, MAX_IT and lower CONVERGED #write the input file and run the simulation input_file = pyalps.writeParameterFile('parm_int',parms[0]) res = pyalps.runDMFT(input_file)