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2026/03/26 09:56 Molecular geometry – put;nocompress peterk +236 B (current)
2025/12/19 21:26 Molecular geometry – [Z-matrix input] peterk +479 B
2025/12/19 21:23 Molecular geometry – [XYZ input] peterk +2 B
2025/12/19 21:22 Molecular geometry – [XYZ input] peterk ±0 B
2025/12/19 21:20 Molecular geometry – [XYZ input] peterk +257 B
2025/12/08 15:13 Molecular geometry – peterk +137 B
2025/12/08 15:02 Molecular geometry – no variables/expressions in xyz input doll -126 B
2025/11/10 14:34 Molecular geometry – [Z-matrix input] doll -5 B
2025/11/10 14:28 Molecular geometry – examples for Z-matrix input doll +392 B
2025/11/10 14:11 Molecular geometry – reasonable geometry, otherwise no bond lengths or angle printed doll +5 B
2025/11/10 13:45 Molecular geometry – typo doll -1 B
2025/07/21 09:03 Molecular geometry – peterk +259 B
2025/06/03 07:34 Molecular geometry – replace dead link with link to xsd may -1 B
2025/02/17 06:37 Molecular geometry – molden: recommend to use subcommand orbital doll +174 B
2024/07/12 08:37 Molecular geometry – external edit 127.0.0.1 ±0 B
2024/07/11 06:31 Molecular geometry – [Z-matrix input] Q not allowed any more in z-matrix doll -169 B
2024/06/14 13:37 Molecular geometry – external edit 127.0.0.1 ±0 B
2023/06/01 13:48 Molecular geometry – [Counterpoise calculations] peterk +1 B
2023/06/01 13:43 Molecular geometry – [Counterpoise calculations] peterk ±0 B
2023/06/01 13:37 Molecular geometry – peterk +280 B