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()