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Fix C++20 compatibility after libcanon submodule update
The libcanon submodule update to C++20 changed canonical form ordering due to std::unordered_map iteration differences between C++14 and C++20. This broke tests expecting specific index orderings (e.g., m[i,j] vs m[j,i]), though the forms remain mathematically equivalent.
Changes
Build configuration
- Updated
CMakeLists.txtto require C++20 standard
Core logic (drudge/fock.py)
- Modified
write_in_qpto accept equivalent canonical forms for matrix elements with identical creation/annihilation orders - Replaced strict equality assertion with first-form-wins approach when multiple equivalent forms arise
Test expectations
- Updated canonical form expectations in
term_test.py,free_algebra_test.py,genmb_test.py,parthole_test.py - Replaced exact equality checks with difference-based comparisons where canonical form ordering is non-deterministic
- Changed structural validation to check algebraic properties (e.g., spin indices) rather than specific variable orderings
Example
Before C++20, canonicalization consistently produced:
# Input: sum over i,j of x[i,j] * v[i] * v[j]
# Output: sum_{i,j} x[i,j] * v[i] * v[j]
After C++20, may produce:
# Input: sum over i,j of x[i,j] * v[i] * v[j]
# Output: sum_{j,i} x[j,i] * v[j] * v[i] # equivalent but reordered
Both forms are mathematically identical due to summation commutativity and symmetry properties.
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