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Searched refs:FixBondLengthsWaterModel (Results 1 – 3 of 3) sorted by relevance

/dports/science/py-gpaw/gpaw-21.6.0/gpaw/test/
H A Dtest_rattle.py5 from gpaw.utilities.watermodel import FixBondLengthsWaterModel
21 for fix in [FixBondLengths, FixBondLengthsWaterModel]:
H A Dtest_watermodel.py11 from gpaw.utilities.watermodel import FixBondLengthsWaterModel, TIP3PWaterModel
53 atoms.constraints = FixBondLengthsWaterModel(pairs)
/dports/science/py-gpaw/gpaw-21.6.0/gpaw/utilities/
H A Dwatermodel.py63 class FixBondLengthsWaterModel(FixBondLengths): class