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ch2o_dip44.inp
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Regtests for TDDFPT GAPW forces (#2636)
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2023-02-27 17:14:21 +01:00 |
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ch2o_dip45.inp
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Bug fix for atomic 2nd and 3rd derivatives of XC GGA functionals (#2667)
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2023-03-09 16:05:12 +01:00 |
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ch2o_dip46.inp
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ADDED_MOS for EC with MO response solver, some regtests for TDDFPT GAP… (#2673)
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2023-03-10 14:25:02 +01:00 |
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ch2o_dip47.inp
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ADDED_MOS for EC with MO response solver, some regtests for TDDFPT GAP… (#2673)
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2023-03-10 14:25:02 +01:00 |
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ch2o_xc_dip44.inp
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Regtests for TDDFPT GAPW forces (#2636)
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2023-02-27 17:14:21 +01:00 |
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ch2o_xc_dip45.inp
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Bug fix for atomic 2nd and 3rd derivatives of XC GGA functionals (#2667)
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2023-03-09 16:05:12 +01:00 |
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ch2o_xc_dip46.inp
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Intrinsic Atomic Orbitals (G. Knizia JCTC 9 4834 (2013) (#2707)
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2023-04-04 12:12:01 +02:00 |
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ch2o_xc_dip47.inp
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ADDED_MOS for EC with MO response solver, some regtests for TDDFPT GAP… (#2673)
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2023-03-10 14:25:02 +01:00 |
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h2o_check1.inp
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Select DOF for finite difference debugging (dipole and force) (#2630)
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2023-02-24 23:41:13 +01:00 |
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h2o_check2.inp
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Select DOF for finite difference debugging (dipole and force) (#2630)
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2023-02-24 23:41:13 +01:00 |
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h2o_dip40.inp
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Regtests for TDDFPT GAPW forces (#2636)
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2023-02-27 17:14:21 +01:00 |
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h2o_dip41.inp
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Regtests for TDDFPT GAPW forces (#2636)
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2023-02-27 17:14:21 +01:00 |
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h2o_dip42.inp
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Bug fix for atomic 2nd and 3rd derivatives of XC GGA functionals (#2667)
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2023-03-09 16:05:12 +01:00 |
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h2o_dip43.inp
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Regtests for TDDFPT GAPW forces (#2636)
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2023-02-27 17:14:21 +01:00 |
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h2o_xc_dip40.inp
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Regtests for TDDFPT GAPW forces (#2636)
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2023-02-27 17:14:21 +01:00 |
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h2o_xc_dip41.inp
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Regtests for TDDFPT GAPW forces (#2636)
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2023-02-27 17:14:21 +01:00 |
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h2o_xc_dip42.inp
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Bug fix for atomic 2nd and 3rd derivatives of XC GGA functionals (#2667)
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2023-03-09 16:05:12 +01:00 |
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h2o_xc_dip43.inp
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Regtests for TDDFPT GAPW forces (#2636)
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2023-02-27 17:14:21 +01:00 |
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TEST_FILES
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ADDED_MOS for EC with MO response solver, some regtests for TDDFPT GAP… (#2673)
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2023-03-10 14:25:02 +01:00 |
