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ch2o-1.inp
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Format all input files
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ch2o-2.inp
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ch2o-3.inp
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ch2o-r.inp
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ch2o_atprop.inp
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ch2o_force.inp
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Fix TB gradients, virials, and k-point symmetry
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2026-05-06 00:47:46 +02:00 |
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ch2o_uks_force.inp
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Improve DFTB/xTB stress handling, k-point reductions, and UKS coverage (#5144)
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2026-05-07 23:01:43 +02:00 |
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co2_1.inp
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co2_2.inp
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co2_3.inp
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2023-12-18 22:41:19 +01:00 |
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dftb_nonscc_ch2o_mol_debug.inp
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Expand TB force/stress coverage and improve GFN2/tblite k-point stress of remaining pathological cases (#5155)
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2026-05-08 21:05:08 +02:00 |
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dftb_nonscc_ch2o_x_kp_debug.inp
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Expand TB force/stress coverage and improve GFN2/tblite k-point stress of remaining pathological cases (#5155)
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2026-05-08 21:05:08 +02:00 |
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h2-1.inp
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h2-2.inp
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h2-3.inp
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h2-4.inp
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h2o-32_1.inp
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h2o-32_2.inp
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h2o-32_3.inp
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h2o-32_4.inp
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2023-12-18 22:41:19 +01:00 |
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h2o-32_atprop.inp
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gfn0-xTB and parallel DFT-D4 (#3765)
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2024-11-08 17:48:34 +01:00 |
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MoS.inp
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MoS_atprop.inp
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2023-12-18 22:41:19 +01:00 |
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n2.inp
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Update regtests non-scf DFTB + QMMM (prepare for new functionality) (#3436)
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2024-05-28 13:23:17 +02:00 |
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s2.inp
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Format all input files
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2023-12-18 22:41:19 +01:00 |
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si_kp1.inp
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si_kp2.inp
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Format all input files
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2023-12-18 22:41:19 +01:00 |
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si_kp_stress.inp
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Fix TB gradients, virials, and k-point symmetry
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2026-05-06 00:47:46 +02:00 |
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TEST_FILES.toml
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Finalize GFN2/tblite k-point stress for remaining pathological cases (#5156)
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2026-05-08 21:50:37 +02:00 |
