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max_memory = 32000
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wxj6000 committed Jan 16, 2025
1 parent ac2a178 commit 356073a
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1 change: 1 addition & 0 deletions gpu4pyscf/mp/tests/test_mp2.py
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Expand Up @@ -37,6 +37,7 @@ def setUpModule():
'O': 'cc-pvdz',}
mol.build()
mol.incore_anyway = True
mol.max_memory = 32000
mf = scf.RHF(mol)
mf.conv_tol = 1e-12
mf.scf()
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