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test tol fiddle
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I refuse to set a test tolerance to 0.1 mEh. I have to be able to
do better than that.
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MatthewRHermes committed Jul 18, 2024
1 parent ac2e6b0 commit 25b117d
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion tests/lasscf/test_lasscf_async.py
Original file line number Diff line number Diff line change
Expand Up @@ -29,7 +29,7 @@ def tearDownModule():

def _run_mod (mod):
las=mod.LASSCF(mf, (2,2), (2,2))
las.conv_tol_grad = 1e-6
las.conv_tol_grad = 1e-7
localize_fn = getattr (las, 'set_fragments_', las.localize_init_guess)
mo_coeff=localize_fn (frag_atom_list, mo0)
las.state_average_(weights=[.2,]*5,
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