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Remove debugging code - requires fix from pyiron_base
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jan-janssen committed Feb 2, 2024
1 parent afcd99c commit 71c83aa
Showing 1 changed file with 6 additions and 18 deletions.
24 changes: 6 additions & 18 deletions pyiron_atomistics/lammps/base.py
Original file line number Diff line number Diff line change
Expand Up @@ -740,16 +740,9 @@ def from_hdf(self, hdf=None, group_name=None): # TODO: group_name should be rem
"""
super(LammpsBase, self).from_hdf(hdf=hdf, group_name=group_name)
self._structure_from_hdf()
data_input_dict = self._hdf5.read_dict_from_hdf(
["input", "input/control_inp", "input/potential_inp"]
)
data_potential_dict = self._hdf5.read_dict_from_hdf(
["input/potential_inp/potential"]
)
data_input_dict["input"]["potential_inp"]["potential"] = data_potential_dict[
"input"
]["potential_inp"]["potential"]
self.input.from_dict(data_dict=data_input_dict)
self.input.from_dict(data_dict=self._hdf5.read_dict_from_hdf(
["input", "input/control_inp", "input/potential_inp", "input/potential_inp/potential"]
))

def write_restart_file(self, filename="restart.out"):
"""
Expand Down Expand Up @@ -1085,14 +1078,9 @@ def from_hdf(self, hdf5):
hdf5:
Returns:
"""
data_input_dict = hdf5.read_dict_from_hdf(
["input", "input/control_inp", "input/potential_inp"]
)
data_potential_dict = hdf5.read_dict_from_hdf(["input/potential_inp/potential"])
data_input_dict["input"]["potential_inp"]["potential"] = data_potential_dict[
"input"
]["potential_inp"]["potential"]
self.from_dict(data_dict=data_input_dict)
self.from_dict(data_dict=hdf5.read_dict_from_hdf(
["input", "input/control_inp", "input/potential_inp", "input/potential_inp/potential"]
))


def resolve_hierachical_dict(data_dict, group_name=""):
Expand Down

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