Add a Bond Length Constraint Node #294
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PythonFZ
requested changes
May 6, 2024
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PythonFZ
reviewed
May 8, 2024
ipsuite/calculators/ase_md.py
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| molecules in the atom_id tuples. | ||
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| atom_id = zntrack.params() |
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should probably be ids or atom_ids as this is not a single atom_id but a list of such.
PythonFZ
reviewed
May 8, 2024
| @@ -239,3 +239,35 @@ def test_locality_test(proj_path, cu_box): | |||
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| project.run() | |||
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Can you add a test for Hook as well?
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