Even if a force does not have type, say Harmonic, it will be added to md.bond.Harmonic() with vanish parameters. Similar case happens for angles. Is this necessary? Does it harm the performance?
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else: |
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harmonic_force.params[bond_type] = dict(k=0, r0=0) |
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else: |
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angular_force.params[angle_type] = dict(U=[0], tau=[0]) |
Even if a force does not have type, say
Harmonic, it will be added tomd.bond.Harmonic()with vanish parameters. Similar case happens for angles. Is this necessary? Does it harm the performance?polychrom-hoomd/polychrom_hoomd/forces.py
Lines 168 to 169 in 27b983b
polychrom-hoomd/polychrom_hoomd/forces.py
Lines 217 to 218 in 27b983b