GAPW excited-state forces #2861
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annahehn
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oschuett
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Jul 15, 2023
tests/SLOW_TESTS_SUPPRESSIONS
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| @@ -83,5 +83,13 @@ QS/regtest-sccs-3/H2O_sccs_td_cd5_geo_opt.inp | |||
| QS/regtest-sccs-2/H2O_sccs_otdiis_cd5.inp | |||
| QS/regtest-lsroks/ch2o_rs.inp | |||
| QS/regtest-rtp-5/H2O-wfn-mix-dens-pulse-1.inp | |||
| QS/regtest-tddfpt-force-gapw/h2o_f01_coulomb_only.inp | |||
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I'd really like to avoid adding new tests to this suppression list. Maybe you could try to speed them up a little bit? I saw that your using EPS_DEFAULT 1.E-30 and CUTOFF 800. Or perhaps you could reduce NSTATES?
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Dear Ole, I fully agree - I will stick to it in the future. Thanks Ole!
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