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Handle full contraction in Flops computation #474

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Merged
bimalgaudel merged 3 commits into from
Feb 2, 2026
Merged

Handle full contraction in Flops computation #474

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0a237de
fix(eval): handle full contraction (tensor × tensor → scalar) in Flops
ajay-mk Feb 2, 2026
132b285
test(eval): add test for full contraction in asy_cost
ajay-mk Feb 2, 2026
19e1c05
fix(eval): add an assertion for equal dims for full contractions
ajay-mk Feb 2, 2026
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13 changes: 10 additions & 3 deletions SeQuant/core/eval/eval_node.hpp
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Original file line number Diff line number Diff line change
Expand Up @@ -114,9 +114,16 @@ struct Flops {
if (n->op_type() == EvalOp::Product //
&& n.left()->is_tensor() //
&& n.right()->is_tensor()) {
auto const idx_count = ContractedIndexCount{n};
auto c = AsyCost{idx_count.unique_occs(), idx_count.unique_virts()};
return idx_count.is_outerpod() ? c : 2 * c;
if (n->is_tensor()) {
auto const idx_count = ContractedIndexCount{n};
auto c = AsyCost{idx_count.unique_occs(), idx_count.unique_virts()};
return idx_count.is_outerpod() ? c : 2 * c;
} else { // full contraction to scalar
SEQUANT_ASSERT(n->is_scalar());
SEQUANT_ASSERT(occ_virt(n.left()->as_tensor()) ==
occ_virt(n.right()->as_tensor()));
return 2 * AsyCost{occ_virt(n.left()->as_tensor())};
}
} else if (n->is_tensor()) {
// scalar times a tensor
// or a tensor plus a tensor
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7 changes: 7 additions & 0 deletions tests/unit/test_eval_node.cpp
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Expand Up @@ -276,6 +276,13 @@ TEST_CASE("eval_node", "[EvalNode]") {
auto const np3 = eval_node(p3);
REQUIRE(asy_cost(np3) == AsyCost{2, 2, 1} + AsyCost{2, 3, 1});

// full contraction to scalar: cc energy-like expression
auto const p_e = parse_expr_antisymm(
L"f_{i1}^{a1} * t_{a1}^{i1} + g_{i1,i2}^{a1,a2} * t_{a1,a2}^{i1,i2}");
auto const n_e = eval_node(p_e);
REQUIRE(n_e->is_scalar());
REQUIRE(asy_cost(n_e) == 2 * AsyCost{2, 2} + 2 * AsyCost{1, 1});

#if 0
auto const s1 =
parse_expr(L"I{i1,i2;a1,a2} + I{i1,i2;a1,a2}", Symmetry::Symm);
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