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removed some commented out older code
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jrudz committed Nov 7, 2023
1 parent aa724bd commit 9d32274
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Showing 2 changed files with 0 additions and 15 deletions.
8 changes: 0 additions & 8 deletions atomisticparsers/gromacs/parser.py
Original file line number Diff line number Diff line change
Expand Up @@ -874,14 +874,6 @@ def parse_method(self):
if not sec_interaction.get('n_atoms'):
sec_interaction.n_atoms = len(sec_interaction.get('atom_indices')[0]) if sec_interaction.get('atom_indices') is not None else None

# OLD VERSION WITHOUT GROUPINGS
# for interaction in interactions:
# sec_interaction = sec_model.m_create(Interaction)
# for key, val in interaction.items():
# print(key)
# print(val)
# setattr(sec_interaction, key, val)

input_parameters = self.log_parser.get('input_parameters', {})
sec_force_calculations = sec_force_field.m_create(ForceCalculations)
sec_neighbor_searching = sec_force_calculations.m_create(NeighborSearching)
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7 changes: 0 additions & 7 deletions atomisticparsers/lammps/parser.py
Original file line number Diff line number Diff line change
Expand Up @@ -1150,13 +1150,6 @@ def parse_method(self):
if not sec_interaction.get('n_atoms'):
sec_interaction.n_atoms = len(sec_interaction.get('atom_indices')[0]) if sec_interaction.get('atom_indices') is not None else None

# OLD VERSION WITHOUT GROUPINGS
# interactions = interactions if interactions is not None else []
# for interaction in interactions:
# sec_interaction = sec_model.m_create(Interaction)
# for key, val in interaction.items():
# setattr(sec_interaction, key, val)

# Force Calculation Parameters
sec_force_calculations = sec_force_field.m_create(ForceCalculations)
for pairstyle in self.log_parser.get('pair_style', []):
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