symmetrize_field4d.hpp

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// Copyright (c) 2013-2023 Anton Kozhevnikov, Thomas Schulthess
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/** \file symmetrize_field4d.hpp
 *
 *  \brief Symmetrize density and potential fields (scalar + vector).
 */
 
#ifndef __SYMMETRIZE_FIELD4D_HPP__
#define __SYMMETRIZE_FIELD4D_HPP__
 
#include "symmetrize_mt_function.hpp"
#include "symmetrize_pw_function.hpp"
#include "function3d/field4d.hpp"
 
namespace sirius {
 
inline void
symmetrize_field4d(Field4D& f__)
{
    auto& ctx = f__.ctx();
 
    /* quick exit: the only symmetry operation is identity */
    if (ctx.unit_cell().symmetry().size() == 1) {
        return;
    }
 
    /* symmetrize PW components */
    symmetrize_pw_function(ctx.unit_cell().symmetry(), ctx.remap_gvec(), ctx.sym_phase_factors(),
        ctx.num_mag_dims(), f__.pw_components());
 
    if (ctx.full_potential()) {
        symmetrize_mt_function(ctx.unit_cell().symmetry(), ctx.comm(), ctx.num_mag_dims(), f__.mt_components());
    }
}
 
}
 
#endif