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Be_STO
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Fix Be orb opt test
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2023-06-05 16:45:14 -05:00 |
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C2_pp
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Set driver_version in inputs
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2025-01-08 13:53:45 -05:00 |
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C4_ae
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Increase C4_md_ae_qp variance tolerance
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2025-04-01 10:37:05 -04:00 |
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CHN_ae
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Set driver_version in inputs
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2025-01-08 13:53:45 -05:00 |
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Co_L2
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Set driver_version in inputs
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2025-01-08 13:53:45 -05:00 |
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FeCO6_b3lyp_gms
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Relax FeCO6_b3lyp_gms real MP tolerance.
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2025-03-01 15:11:00 -06:00 |
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FeCO6_b3lyp_pyscf
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Set driver_version in inputs
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2025-01-08 13:53:45 -05:00 |
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H2O_dimer_sep_pp
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Update short-H2O_dimer_sep_pp-j3_dmc_tm3-1-16-nonlocalecp error
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2025-02-17 10:40:24 -05:00 |
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H2_ae
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Set driver_version in inputs
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2025-01-08 13:53:45 -05:00 |
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H4_ae
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Make short H4 target descent reliable
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2025-02-14 17:23:36 -05:00 |
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H4_msd_ae
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Set driver_version in inputs
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2025-01-08 13:53:45 -05:00 |
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H_positron
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Set driver_version in inputs
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2025-01-08 13:53:45 -05:00 |
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He_ae
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Set driver_version in inputs
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2025-01-08 13:53:45 -05:00 |
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He_param
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Fix short-He_orb_rot_param_grad parameter checking.
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2025-02-05 12:00:38 -06:00 |
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Li2_STO_ae
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Set driver_version in inputs
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2025-01-08 13:53:45 -05:00 |
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LiH_ae_MSD
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Increase variance tol
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2025-02-16 20:21:49 -05:00 |
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LiH_ae_gms
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Set driver_version in inputs
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2025-01-08 13:53:45 -05:00 |
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LiH_ae_pyscf
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Increase tolerances on short-LiH_ae_pyscf tests
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2025-03-30 10:22:00 -04:00 |
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LiH_ae_pyscf_UHF
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Set driver_version in inputs
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2025-01-08 13:53:45 -05:00 |
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LiH_ae_qp
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Set driver_version in inputs
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2025-01-08 13:53:45 -05:00 |
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LiH_pp
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Merge branch 'develop' into fixketol
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2025-02-18 10:23:21 -06:00 |
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O_ae_pyscf_UHF
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Set driver_version in inputs
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2025-01-08 13:53:45 -05:00 |
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CMakeLists.txt
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Add statistical integraton and deterministic test for positron
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2023-06-01 18:16:28 -05:00 |
3da8312782