Old Revisions

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  • 2026/03/01 09:30 Geometry optimization (OPTG) – [Options for numerical gradients] werner +98 B (current)
  • 2026/03/01 09:28 Show differences to current revisions Geometry optimization (OPTG) – [Options for computing Hessians] werner +66 B
  • 2026/03/01 09:26 Show differences to current revisions Geometry optimization (OPTG) – [Options for computing Hessians] werner +45 B
  • 2026/03/01 09:25 Show differences to current revisions Geometry optimization (OPTG) – [Options for numerical gradients] werner +4 B
  • 2026/03/01 09:24 Show differences to current revisions Geometry optimization (OPTG) – [Options for computing Hessians] werner +3 B
  • 2026/03/01 09:23 Show differences to current revisions Geometry optimization (OPTG) – [Options for computing Hessians] werner +134 B
  • 2026/03/01 09:22 Show differences to current revisions Geometry optimization (OPTG) – [Options for numerical gradients] werner +139 B
  • 2025/09/29 09:05 Show differences to current revisions Geometry optimization (OPTG) – [Conical Intersection optimization (CONICAL)] doll +131 B
  • 2025/09/29 07:42 Show differences to current revisions Geometry optimization (OPTG) – remark about singlet-triplet case; see issue github 6119 doll +189 B
  • 2025/07/25 14:01 Show differences to current revisions Geometry optimization (OPTG) – typo doll -3 B
  • 2024/07/12 08:37 Show differences to current revisions Geometry optimization (OPTG) – external edit 127.0.0.1 +83.4 KB
  • 2023/08/09 11:39 Show differences to current revisions Geometry optimization (OPTG) – [Options for the PQS optimizer] werner ±0 B
  • 2023/08/09 11:38 Show differences to current revisions Geometry optimization (OPTG) – [Options for the PQS optimizer] werner +2 B
  • 2023/08/09 11:29 Show differences to current revisions Geometry optimization (OPTG) – [Options for the PQS optimizer] werner +84 B
  • 2023/08/09 11:27 Show differences to current revisions Geometry optimization (OPTG) – [Options for the PQS optimizer] werner +118 B
  • 2023/08/09 11:24 Show differences to current revisions Geometry optimization (OPTG) – [Options for the PQS optimizer] werner +837 B
  • 2023/08/01 09:40 Show differences to current revisions Geometry optimization (OPTG) – [Options for the PQS optimizer] werner ±0 B
  • 2023/08/01 09:37 Show differences to current revisions Geometry optimization (OPTG) – [Options for the PQS optimizer] werner +16 B
  • 2023/08/01 09:35 Show differences to current revisions Geometry optimization (OPTG) – [Options for the PQS optimizer] werner +124 B
  • 2023/08/01 09:30 Show differences to current revisions Geometry optimization (OPTG) – [Options for the PQS optimizer] werner +342 B