sygv.hpp

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// Copyright (c) 2024--present, The Simons Foundation
// This file is part of TRIQS/nda and is licensed under the Apache License, Version 2.0.
// SPDX-License-Identifier: Apache-2.0
// See LICENSE in the root of this distribution for details.

 
#pragma once
 
#include "./interface/cxx_interface.hpp"
#include "../basic_array.hpp"
#include "../basic_functions.hpp"
#include "../blas/tools.hpp"
#include "../concepts.hpp"
#include "../declarations.hpp"
#include "../macros.hpp"
#include "../mem/address_space.hpp"
#include "../traits.hpp"
 
#include <cmath>
#include <concepts>
 
namespace nda::lapack {

  template <BlasArrayReal<2> A, BlasArrayFor<A, 2> B, BlasArrayFor<A, 1> W, BlasArrayFor<A, 1> W1 = vector_value_t<A>>
    requires(mem::have_host_compatible_addr_space<A> and has_F_layout<A, B>)
  int sygv(A &&a, B &&b, W &&w, char jobz = 'V', int itype = 1, W1 &&work = vector_value_t<A>{}) { // NOLINT
    // check the dimensions of the input/output arrays/views and resize if necessary
    auto const [m, n] = a.shape();
    EXPECTS(m == n);
    EXPECTS(m == b.shape()[0]);
    EXPECTS(n == b.shape()[1]);
    resize_or_check_if_view(w, {n});
 
    // arrays/views must be LAPACK compatible
    EXPECTS(a.indexmap().min_stride() == 1);
    EXPECTS(b.indexmap().min_stride() == 1);
    EXPECTS(w.indexmap().min_stride() == 1);
 
    // check other input parameters for consistency
    EXPECTS(itype == 1 or itype == 2 or itype == 3);
    EXPECTS(jobz == 'V' or jobz == 'N');
 
    // first call to get the optimal buffer size
    auto tmp_lwork = get_value_t<A>{};
    int info       = 0;
    lapack::f77::sygv(itype, jobz, 'U', n, a.data(), get_ld(a), b.data(), get_ld(b), w.data(), &tmp_lwork, -1, info);
    int lwork = static_cast<int>(std::ceil(tmp_lwork));
 
    // resize/check work buffer
    resize_or_check_work_buffer(work, lwork);
 
    // perform actual library call
    lapack::f77::sygv(itype, jobz, 'U', n, a.data(), get_ld(a), b.data(), get_ld(b), w.data(), work.data(), lwork, info);
 
    return info;
  }
 
} // namespace nda::lapack