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Add an example of using output from one program as input to another
#222
opened Jan 23, 2020 by
mattwelborn
Add information needed for restart capability into TaskConfiguration
#331
opened Nov 19, 2021 by
WardLT
Return some information from geometry optimizations that do not converge
#334
opened Dec 10, 2021 by
WardLT
The test qcengine/programs/tests/test_programs.py::test_psi4_task runs forever
#390
opened Dec 8, 2022 by
yurivict
Standard QC test suite
Computation
Issues related to single program execution
Good First Issue
Good for newcomers
#2
opened Aug 18, 2018 by
dgasmith
qcengine/programs/tests/test_programs.py::test_mopac_task runs for 200+ minutes
#384
opened Nov 15, 2022 by
yurivict
handle_output_metadata deletes .extras values if they were returned on a FailedOperation object
#397
opened Feb 4, 2023 by
coltonbh
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