Program Listing for File soft_min_switch_virial_grad.h

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// SPDX-License-Identifier: LGPL-3.0-or-later
#pragma once

namespace deepmd {

template <typename FPTYPE>
void soft_min_switch_virial_grad_cpu(FPTYPE* grad_net,
                                     const FPTYPE* grad,
                                     const FPTYPE* sw_deriv,
                                     const FPTYPE* rij,
                                     const int* nlist,
                                     const int nloc,
                                     const int nnei);

}