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Fix FCIDump namelist ending (#983) A FCIDump's header may end with `/` or `&END` (https://hande.readthedocs.io/en/latest/manual/integrals.html#fcidump-format). Since PySCF v1.7.2 (https://github.com/pyscf/pyscf/commit/2675459c0#diff-e3c4e82f238e6aa6add8d26b42ce1363) the end must be `&END`. Thus we introduce this fix to comply with their FCIDump parser.
18349 of 22041 relevant lines covered (83.25%)
0.83 hits per line
Coverage | ∆ | File | Lines | Relevant | Covered | Missed | Hits/Line |
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