qsimulate-open / bagel

Brilliantly Advanced General Electronic-structure Library
GNU General Public License v3.0
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Failing of a test from TestSuite #276

Open EvGeGr opened 4 months ago

EvGeGr commented 4 months ago

Hello,

I have run TestSuite and one of the tests has failed, namely this one, hf_svp_coulomb_opt:

../../src/testimpl/test_opt.cc(155): error: in "TEST_OPT/DF_HF_Opt": check compare(run_opt("hf_svp_coulomb_opt"), reference_dcf_opt(), 1.0e-4) has failed

I wonder what/where the reference for this test is? Just in case, the output is attached.

Kind regards, Evgeniy hf_svp_coulomb_opt.testout.gz