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🐛 Fix neutral defect handling in CDS and correct gate design termination condition. #551

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merged 4 commits into from
Oct 30, 2024
Merged

🐛 Fix neutral defect handling in CDS and correct gate design termination condition. #551

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5324bad
:art: fixing two bugs.
Drewniok Oct 29, 2024
927cc5e
:art: small fix.
Drewniok Oct 29, 2024
313b071
🎨 Incorporated pre-commit fixes
pre-commit-ci[bot] Oct 29, 2024
ad7f957
:art: integrate clang-tidy warnings.
Drewniok Oct 29, 2024
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9 changes: 8 additions & 1 deletion include/fiction/algorithms/physical_design/design_sidb_gates.hpp
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Original file line number Diff line number Diff line change
Expand Up @@ -250,13 +250,20 @@ class design_sidb_gates_impl
for (std::size_t i = 0; i < number_of_used_threads; ++i)
{
threads.emplace_back(
[i, chunk_size, &all_combinations, &add_combination_to_layout_and_check_operation]()
[i, chunk_size, &all_combinations, &add_combination_to_layout_and_check_operation, &solution_found,
this]()
{
const std::size_t start_index = i * chunk_size;
const std::size_t end_index = std::min(start_index + chunk_size, all_combinations.size());

for (std::size_t j = start_index; j < end_index; ++j)
{
if (solution_found &&
(params.termination_cond ==
design_sidb_gates_params<cell<Lyt>>::termination_condition::AFTER_FIRST_SOLUTION))
{
return;
}
add_combination_to_layout_and_check_operation(all_combinations[j]);
}
});
Expand Down
3 changes: 2 additions & 1 deletion include/fiction/technology/charge_distribution_surface.hpp
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Expand Up @@ -536,7 +536,8 @@ class charge_distribution_surface<Lyt, false> : public Lyt
void add_sidb_defect_to_potential_landscape(const typename Lyt::cell& c, const sidb_defect& defect) noexcept
{
// check if defect is not placed on SiDB position
if (std::find(strg->sidb_order.cbegin(), strg->sidb_order.cend(), c) == strg->sidb_order.end())
if (std::find(strg->sidb_order.cbegin(), strg->sidb_order.cend(), c) == strg->sidb_order.end() &&
is_charged_defect_type(defect))
{
// check if defect was not added yet.
if (strg->defects.find(c) == strg->defects.end())
Expand Down
19 changes: 15 additions & 4 deletions test/algorithms/physical_design/design_sidb_gates.cpp
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Expand Up @@ -400,16 +400,27 @@ TEST_CASE("Design NOR Bestagon shaped gate on H-Si 111", "[design-sidb-gates]")

SECTION("Exhaustive Generation, allowing kinks")
{
const design_sidb_gates_params<cell<sidb_111_cell_clk_lyt_siqad>> params{
design_sidb_gates_params<cell<sidb_111_cell_clk_lyt_siqad>> params{
is_operational_params{sidb_simulation_parameters{2, -0.32}, sidb_simulation_engine::QUICKEXACT},
design_sidb_gates_params<
cell<sidb_111_cell_clk_lyt_siqad>>::design_sidb_gates_mode::AUTOMATIC_EXHAUSTIVE_GATE_DESIGNER,
{{10, 13, 0}, {14, 17, 0}},
3};

const auto found_gate_layouts = design_sidb_gates(lyt, std::vector<tt>{create_nor_tt()}, params);
REQUIRE(found_gate_layouts.size() == 14);
CHECK(found_gate_layouts.front().num_cells() == lyt.num_cells() + 3);
SECTION("all design")
{
const auto found_gate_layouts = design_sidb_gates(lyt, std::vector<tt>{create_nor_tt()}, params);
REQUIRE(found_gate_layouts.size() == 14);
CHECK(found_gate_layouts.front().num_cells() == lyt.num_cells() + 3);
}
SECTION("terminate after first solution is found")
{
params.termination_cond = design_sidb_gates_params<
cell<sidb_111_cell_clk_lyt_siqad>>::termination_condition::AFTER_FIRST_SOLUTION;
const auto found_gate_layouts = design_sidb_gates(lyt, std::vector<tt>{create_nor_tt()}, params);
REQUIRE(found_gate_layouts.size() <= std::thread::hardware_concurrency());
CHECK(found_gate_layouts.front().num_cells() == lyt.num_cells() + 3);
}
}

SECTION("Exhaustive Generation, forbidding kinks")
Expand Down
67 changes: 29 additions & 38 deletions test/technology/charge_distribution_surface.cpp
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Expand Up @@ -564,7 +564,7 @@ TEMPLATE_TEST_CASE("Assign and delete charge states without defects", "[charge-d
lyt.assign_cell_type({1, 8, 0}, TestType::cell_type::NORMAL);
lyt.assign_cell_type({1, 10, 1}, TestType::cell_type::NORMAL);

charge_distribution_surface charge_layout{lyt, sidb_simulation_parameters{}};
const charge_distribution_surface charge_layout{lyt, sidb_simulation_parameters{}};

CHECK_THAT(charge_layout.get_chargeless_potential_between_sidbs({2, 8, 0}, {2, 10, 1}),
Catch::Matchers::WithinAbs(0.0, 0.00001));
Expand Down Expand Up @@ -887,8 +887,8 @@ TEMPLATE_TEST_CASE("Assign and delete charge states without defects", "[charge-d

lyt_new.assign_cell_type({0, 0, 0}, TestType::cell_type::NORMAL);

charge_distribution_surface charge_layout_new{lyt_new, params};
const auto negative_sidbs = charge_layout_new.negative_sidb_detection();
const charge_distribution_surface charge_layout_new{lyt_new, params};
const auto negative_sidbs = charge_layout_new.negative_sidb_detection();
REQUIRE(negative_sidbs.size() == 1);
}

Expand Down Expand Up @@ -1314,7 +1314,7 @@ TEMPLATE_TEST_CASE("Assign and delete charge states without defects, part one",
{
TestType lyt{};

SECTION("Assign defect")
SECTION("Assign charged defect")
{
lyt.assign_cell_type({5, 4}, TestType::cell_type::NORMAL);
lyt.assign_cell_type({5, 5}, TestType::cell_type::NORMAL);
Expand All @@ -1325,6 +1325,17 @@ TEMPLATE_TEST_CASE("Assign and delete charge states without defects, part one",
charge_layout.get_simulation_params().lambda_tf});
}

SECTION("Assign neutral defect")
{
lyt.assign_cell_type({5, 4}, TestType::cell_type::NORMAL);
charge_distribution_surface charge_layout{lyt, sidb_simulation_parameters{}};
charge_layout.add_sidb_defect_to_potential_landscape(
{5, 6}, sidb_defect{sidb_defect_type::UNKNOWN, 0, charge_layout.get_simulation_params().epsilon_r,
charge_layout.get_simulation_params().lambda_tf});
CHECK_THAT(charge_layout.get_local_potential({5, 4}).value(),
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Catch::Matchers::WithinAbs(0, physical_constants::POP_STABILITY_ERR));
}

SECTION("perturber is replaced by an equivalent defect")
{
lyt.assign_cell_type({5, 4}, TestType::cell_type::NORMAL);
Expand Down Expand Up @@ -1909,17 +1920,17 @@ TEMPLATE_TEST_CASE("Assign and delete charge states without defects, part two",
CHECK(charge_layout.get_charge_state({0, 0, 0}) == sidb_charge_state::NEGATIVE);
CHECK(charge_layout.get_charge_state({3, 0, 0}) == sidb_charge_state::NEGATIVE);
CHECK(charge_layout.get_charge_state({5, 0, 0}) == sidb_charge_state::NEGATIVE);
auto loc_one_wo_defect = charge_layout.get_local_potential({0, 0, 0}).value();
auto loc_two_wo_defect = charge_layout.get_local_potential({3, 0, 0}).value();
auto loc_three_wo_defect = charge_layout.get_local_potential({5, 0, 0}).value();
const auto loc_one_wo_defect = charge_layout.get_local_potential({0, 0, 0}).value();
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const auto loc_two_wo_defect = charge_layout.get_local_potential({3, 0, 0}).value();
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const auto loc_three_wo_defect = charge_layout.get_local_potential({5, 0, 0}).value();
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charge_layout.add_sidb_defect_to_potential_landscape(
{-4, 0, 0}, sidb_defect{sidb_defect_type::UNKNOWN, -1, charge_layout.get_simulation_params().epsilon_r,
charge_layout.get_simulation_params().lambda_tf});
auto loc_one_w_negative_defect = charge_layout.get_local_potential({0, 0, 0}).value();
auto loc_two_w_negative_defect = charge_layout.get_local_potential({3, 0, 0}).value();
auto loc_three_w_negative_defect = charge_layout.get_local_potential({5, 0, 0}).value();
auto defect_potentials_negative = charge_layout.get_local_defect_potentials();
const auto loc_one_w_negative_defect = charge_layout.get_local_potential({0, 0, 0}).value();
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const auto loc_two_w_negative_defect = charge_layout.get_local_potential({3, 0, 0}).value();
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const auto loc_three_w_negative_defect = charge_layout.get_local_potential({5, 0, 0}).value();
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const auto defect_potentials_negative = charge_layout.get_local_defect_potentials();
REQUIRE(!defect_potentials_negative.empty());

CHECK(loc_one_wo_defect > loc_one_w_negative_defect);
Expand All @@ -1929,35 +1940,22 @@ TEMPLATE_TEST_CASE("Assign and delete charge states without defects, part two",
charge_layout.add_sidb_defect_to_potential_landscape(
{-4, 0, 0}, sidb_defect{sidb_defect_type::UNKNOWN, 0, charge_layout.get_simulation_params().epsilon_r,
charge_layout.get_simulation_params().lambda_tf});
auto loc_one_w_neutral_defect = charge_layout.get_local_potential({0, 0, 0}).value();
auto loc_two_w_neutral_defect = charge_layout.get_local_potential({3, 0, 0}).value();
auto loc_three_w_neutral_defect = charge_layout.get_local_potential({5, 0, 0}).value();
CHECK_THAT(loc_one_wo_defect - loc_one_w_neutral_defect,
Catch::Matchers::WithinAbs(0, physical_constants::POP_STABILITY_ERR));
CHECK_THAT(loc_two_wo_defect - loc_two_w_neutral_defect,
Catch::Matchers::WithinAbs(0, physical_constants::POP_STABILITY_ERR));
CHECK_THAT(loc_three_wo_defect - loc_three_w_neutral_defect,
Catch::Matchers::WithinAbs(0, physical_constants::POP_STABILITY_ERR));
const auto loc_one_w_neutral_defect = charge_layout.get_local_potential({0, 0, 0}).value();
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const auto loc_two_w_neutral_defect = charge_layout.get_local_potential({3, 0, 0}).value();
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const auto loc_three_w_neutral_defect = charge_layout.get_local_potential({5, 0, 0}).value();
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charge_layout.add_sidb_defect_to_potential_landscape(
{-4, 0, 0}, sidb_defect{sidb_defect_type::UNKNOWN, 1, charge_layout.get_simulation_params().epsilon_r,
charge_layout.get_simulation_params().lambda_tf});
auto loc_one_w_positive_defect = charge_layout.get_local_potential({0, 0, 0}).value();
auto loc_two_w_positive_defect = charge_layout.get_local_potential({3, 0, 0}).value();
auto loc_three_w_positive_defect = charge_layout.get_local_potential({5, 0, 0}).value();
auto defect_potentials_positive = charge_layout.get_local_defect_potentials();
const auto loc_one_w_positive_defect = charge_layout.get_local_potential({0, 0, 0}).value();
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const auto loc_two_w_positive_defect = charge_layout.get_local_potential({3, 0, 0}).value();
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const auto loc_three_w_positive_defect = charge_layout.get_local_potential({5, 0, 0}).value();
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const auto defect_potentials_positive = charge_layout.get_local_defect_potentials();
REQUIRE(!defect_potentials_positive.empty());

CHECK(loc_one_w_positive_defect > loc_one_w_neutral_defect);
CHECK(loc_two_w_positive_defect > loc_two_w_neutral_defect);
CHECK(loc_three_w_positive_defect > loc_three_w_neutral_defect);

CHECK_THAT((defect_potentials_negative[{0, 0, 0}] + defect_potentials_positive[{0, 0, 0}]),
Catch::Matchers::WithinAbs(0.0, 0.000001));
CHECK_THAT((defect_potentials_negative[{3, 0, 0}] + defect_potentials_positive[{3, 0, 0}]),
Catch::Matchers::WithinAbs(0.0, 0.000001));
CHECK_THAT((defect_potentials_negative[{5, 0, 0}] + defect_potentials_positive[{5, 0, 0}]),
Catch::Matchers::WithinAbs(0.0, 0.000001));
}

SECTION("experiments with defects | assigning and reassigning defects")
Expand Down Expand Up @@ -2002,13 +2000,6 @@ TEMPLATE_TEST_CASE("Assign and delete charge states without defects, part two",
auto loc_two_w_neutral_defect = charge_layout.get_local_potential({3, 0, 0}).value();
auto loc_three_w_neutral_defect = charge_layout.get_local_potential({5, 0, 0}).value();

CHECK_THAT(loc_one_wo_defect - loc_one_w_neutral_defect,
Catch::Matchers::WithinAbs(0, physical_constants::POP_STABILITY_ERR));
CHECK_THAT(loc_two_wo_defect - loc_two_w_neutral_defect,
Catch::Matchers::WithinAbs(0, physical_constants::POP_STABILITY_ERR));
CHECK_THAT(loc_three_wo_defect - loc_three_w_neutral_defect,
Catch::Matchers::WithinAbs(0, physical_constants::POP_STABILITY_ERR));

charge_layout.add_sidb_defect_to_potential_landscape(
{-4, 0, 0}, sidb_defect{sidb_defect_type::UNKNOWN, 1, charge_layout.get_simulation_params().epsilon_r,
charge_layout.get_simulation_params().lambda_tf});
Expand Down
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