forked from mindspore-Ecosystem/mindspore
fix ops
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@ -296,7 +296,7 @@ class BondForceWithAtomEnergy(PrimitiveWithInfer):
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- **scaler_f** (Tensor) - The 3-D scale factor (x, y, z),
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between the real space float coordinates and the unsigned int coordinates.
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The data type is float32 and the shape is :math:`(3,)`.
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- **atom_a** (Tensor, int32) - The first atom index of each bond.
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- **atom_a** (Tensor) - The first atom index of each bond.
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The data type is int32 and the shape is :math:`(m,)`.
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- **atom_b** (Tensor) - The second atom index of each bond.
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The data type is int32 and the shape is :math:`(m,)`.
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@ -388,7 +388,7 @@ class BondForceWithAtomVirial(PrimitiveWithInfer):
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- **scaler_f** (Tensor) - The 3-D scale factor (x, y, z),
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between the real space float coordinates and the unsigned int coordinates.
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The data type is float32 and the shape is :math:`(3,)`.
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- **atom_a** (Tensor, int32) - The first atom index of each bond.
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- **atom_a** (Tensor) - The first atom index of each bond.
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The data type is int32 and the shape is :math:`(m,)`.
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- **atom_b** (Tensor) - The second atom index of each bond.
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The data type is int32 and the shape is :math:`(m,)`.
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@ -297,7 +297,7 @@ class RefreshCrdVel(PrimitiveWithInfer):
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validator.check_value_type('atom_numbers', atom_numbers, int, self.name)
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validator.check_value_type('dt', dt, float, self.name)
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validator.check_value_type('dt_inverse', dt_inverse, float, self.name)
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validator.check_value_type('exp_gamma', dt, float, self.name)
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validator.check_value_type('exp_gamma', exp_gamma, float, self.name)
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validator.check_value_type('half_exp_gamma_plus_half', half_exp_gamma_plus_half, float, self.name)
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self.atom_numbers = atom_numbers
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self.dt_inverse = dt_inverse
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