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!f settings
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kfir4444 committed Nov 27, 2022
1 parent b4fd444 commit ee00e38
Showing 1 changed file with 0 additions and 4 deletions.
4 changes: 0 additions & 4 deletions arc/settings/settings.py
Original file line number Diff line number Diff line change
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# Avoid ascribing the same phrase to more than one software, this may cause undeterministic assignment of software
# Format is levels_ess = {ess: ['phrase1', 'phrase2'], ess2: ['phrase3', 'phrase3']}
levels_ess = {
<<<<<<< main
'cfour': ['casscf'],
'gaussian': ['apfd', 'b3lyp', 'm062x'],
=======
'gaussian': ['apfd', 'b3lyp', 'm062x', 'hf'],
>>>>>>> added psi4 to many locations
'molpro': ['ccsd', 'cisd', 'vpz'],
'qchem': ['m06-2x'],
'orca': ['dlpno'],
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