Program Listing for File soft_min_switch_virial.h

Return to documentation for file (source/lib/include/soft_min_switch_virial.h)

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

namespace deepmd {

template <typename FPTYPE>
void soft_min_switch_virial_cpu(FPTYPE* virial,
                                FPTYPE* atom_virial,
                                const FPTYPE* du,
                                const FPTYPE* sw_deriv,
                                const FPTYPE* rij,
                                const int* nlist,
                                const int nloc,
                                const int nall,
                                const int nnei);

}