diff --git a/.secret_cpp/category.cpp b/.secret_cpp/category.cpp index 3a7665b..9d50bbe 100644 --- a/.secret_cpp/category.cpp +++ b/.secret_cpp/category.cpp @@ -312,57 +312,3 @@ std::vector category_D(uint64_t N_orb, eri_4idx_t idx, std::ve category_D_iiil(N_orb, {a, a, a, b}, psi, result); return result; } - -// No more main, just test now - -/* -int main(int argc, char** argv) { - int Norb = std::stoi(argv[1]); - int Nelec = 4; - int Ndet = std::min(100, (int)binom(Norb, Nelec)); - std::vector psi; - for(int i = 0; i < Ndet; i++) { - auto d1 = combi(i, Norb, Nelec); - for(int j = 0; j < Ndet; j++) { - auto d2 = combi(j, Norb, Nelec); - psi.push_back({d1, d2}); - } - } - // test combi/unchoose - for(int i = 0; i < binom(Norb, Nelec); i++) { - assert(unchoose(Norb, combi(i, Norb, Nelec)) == i); - std::cout << i << " " << combi(i, Norb, Nelec) << std::endl; - } - // auto res1 = category_C(Norb, {1, 2, 1, 4}, psi); - // auto res1 = category_D(Norb, {1, 1, 1, 3}, psi); - auto res1 = category_D(Norb, {1, 3, 3, 3}, psi); - for(size_t i = 0; i < res1.size(); i++) { - auto& [pd1, ph1] = res1[i]; - std::cout << i << "\t: " << " " << psi[pd1.first] << "->" << psi[pd1.second] << "\t" << ph1 - << std::endl; - } - return 0; - spin_det_t d("1100111110010100101010"); - for(int p = 0; p < d.size(); p++) { - for(int h = 0; h < d.size(); h++) { - if(h != p) { - if(d.test(h) & !d.test(p)) { - auto ph0 = get_phase_single_slow(d, h, p); - auto ph1 = get_phase_single(d, h, p); - assert(ph0 == ph1); - } - } - } - } - return 0; - - spin_det_t d1{"11000"}; // 4->2 - spin_det_t d2{"10001"}; // 4->2 - spin_det_t d3{"01100"}; // 2->4 - spin_det_t d4{"00101"}; // 2->4 - std::cout << "d" << d1 << " " << get_phase_single(d1, 4, 2) << std::endl; - std::cout << "d" << d1 << " " << get_phase_single(d2, 4, 2) << std::endl; - std::cout << "d" << d1 << " " << get_phase_single(d3, 2, 4) << std::endl; - std::cout << "d" << d1 << " " << get_phase_single(d4, 2, 4) << std::endl; -} -*/