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')
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')
