import os, shutil, sys import numpy as np from mpi4py import MPI from pypospack.pyposmat.data import PyposmatConfigurationFile from pypospack.pyposmat.engines import PyposmatIterativeSampler if __name__ == "__main__": pyposmat_data_directory = 'data' pyposmat_filename_in = os.path.join(pyposmat_data_directory, 'pyposmat.config.in') #------------------------------------------------------------------------------ # RUN PYPOSMAT #------------------------------------------------------------------------------ pyposmat_app = PyposmatIterativeSampler( configuration_filename=pyposmat_filename_in, is_restart=True) pyposmat_app.data_directory = pyposmat_data_directory pyposmat_app.read_configuration_file() pyposmat_app.run_all()
import os,shutil,sys import numpy as np from mpi4py import MPI from pypospack.pyposmat.data import PyposmatConfigurationFile from pypospack.pyposmat.engines import PyposmatIterativeSampler from pypospack.pyposmat.data import PyposmatDataFile import pandas as pd class Dev__PyposmatIterativeSampler(PyposmatIterativeSampler): pass if __name__ == "__main__": pyposmat_data_dir = 'data__Ni__eam__born_exp_fs_00' pyposmat_filename_in = os.path.join( 'data__Ni__eam__born_exp_fs_00', 'pyposmat.config.in') #------------------------------------------------------------------------------ # RUN PYPOSMAT #------------------------------------------------------------------------------ pyposmat_app = PyposmatIterativeSampler( configuration_filename = pyposmat_filename_in) pyposmat_app.data_directory = 'data__Ni__eam__born_exp_fs_00' pyposmat_app.read_configuration_file() #pyposmat_app.run_restart() #exit() pyposmat_app.run_all()