/** * Copyright 2021 Huawei Technologies Co., Ltd * * Licensed under the Apache License, Version 2.0 (the "License"); * you may not use this file except in compliance with the License. * You may obtain a copy of the License at * * http://www.apache.org/licenses/LICENSE-2.0 * * Unless required by applicable law or agreed to in writing, software * distributed under the License is distributed on an "AS IS" BASIS, * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. * See the License for the specific language governing permissions and * limitations under the License. */ /*! * \file deep_md.h * \brief */ #ifndef OPS_BUILT_IN_OP_PROTO_INC_DEEP_MD_H_ #define OPS_BUILT_IN_OP_PROTO_INC_DEEP_MD_H_ #include "graph/operator_reg.h" namespace ge { /** * @brief Calculate ProdForceSeA. \n * * @par Inputs: * Five inputs, including: * @li net_deriv: A Tensor. Must be one of the following types: float16, float32, float64. * @li in_deriv: A Tensor. Must be one of the following types: float16, float32, float64. * @li nlist: A Tensor. dtype is int32. * @li natoms: A Tensor. dtype is int32. \n * * @par Outputs: * atom_force: A Tensor. Must be one of the following types: float16, float32, float64. \n * * @par Attributes: * Two attributes, including: * @li n_a_sel: A Scalar. * @li n_r_sel: A Scalar. \n * * @par Restrictions: * Warning: THIS FUNCTION IS EXPERIMENTAL. Please do not use. */ REG_OP(ProdForceSeA) .INPUT(net_deriv, TensorType({DT_FLOAT16, DT_FLOAT, DT_DOUBLE})) .INPUT(in_deriv, TensorType({DT_FLOAT16, DT_FLOAT, DT_DOUBLE})) .INPUT(nlist, TensorType({DT_INT32})) .INPUT(natoms, TensorType({DT_INT32})) .OUTPUT(atom_force, TensorType({DT_FLOAT16, DT_FLOAT, DT_DOUBLE})) .REQUIRED_ATTR(n_a_sel, Int) .REQUIRED_ATTR(n_r_sel, Int) .OP_END_FACTORY_REG(ProdForceSeA) } // namespace ge #endif // OPS_BUILT_IN_OP_PROTO_INC_DEEP_MD_H_