Quantum chemistry program executor and IO standardizer (QCSchema).
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The test qcengine/programs/tests/test_programs.py::test_psi4_task runs forever #390
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yurivict opened 1 year ago
Describe the bug This testcase didn't finish in an hour.
Version: 0.26.0 psi4-1.6.1.20221122_1 Python-3.9