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b2h6_pm6.inp
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Format all input files
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c2h4.inp
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ch2o.inp
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ch2o_pm6.inp
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ch4-ot.inp
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ch4-restart.inp
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ch4.inp
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H2O-MNDO.inp
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H2O-PDDG.inp
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h2o.inp
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h2o_lsd-ot.inp
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h2o_lsd.inp
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h2o_meta.inp
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h2op.inp
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hcl.inp
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hcl_ot.inp
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CG/Linesearch (#4141)
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hcl_z.inp
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hcn.inp
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hcn_pm6.inp
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hf.inp
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hf_z.inp
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md.inp
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nh4.inp
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NO2-ROKS.inp
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O-ROKS.inp
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O2-ROKS-PM6.inp
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O2-ROKS.inp
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st.inp
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TEST_FILES.toml
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Native implementation for xTB spin polarisation (#5611)
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2026-07-22 09:57:20 +02:00 |
