from __future__ import print_function, division __author__ = 'setten' __version__ = "0.1" __maintainer__ = "Michiel van Setten" __email__ = "*****@*****.**" __date__ = "Sept 2014" """ Script to setup a set of benchmark calculations """ from PyBench.core.descriptions import get_description from PyBench.core.data import get_data_set if __name__ == "__main__": code = 'vasp' # desc = get_description(code=code) # desc.read_from_file() data_set = get_data_set(code=code, new=True) data_set.gather_data() data_set.set_parameter_lists() data_set.print_parameter_lists() data_set.insert_in_db()
from __future__ import print_function, division __author__ = 'setten' __version__ = "0.1" __maintainer__ = "Michiel van Setten" __email__ = "*****@*****.**" __date__ = "Sept 2014" """ Script to setup a set of benchmark calculations """ from PyBench.core.data import get_data_set if __name__ == "__main__": code = 'vasp' data_set = get_data_set(code=code, new=False) data_set.get_from_db() data_set.set_parameter_lists() data_set.print_parameter_lists() data_set.plot_data() data_set.plot_data(mode='efficiency') data_set.plot_data(mode='abstiming') data_set.plot_data(mode='energies')