Recent Changes

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2025/02/19 15:15 Recent changes – [Upcoming: GUI gmolpro 2.x.x] doll +101 B
2025/02/17 15:10 Variables – try to fix strange layout/text "(exceptions ...)" appearing in italics without blank doll +1 B
2025/02/17 06:37 Molecular geometry – molden: recommend to use subcommand orbital doll +174 B
2025/02/17 06:25 gmolpro graphical user interface – [gmolpro graphical user interface] doll +9 B
2025/02/12 15:03 h-i6plus-occupied.jpg – removed doll -37.9 KB
2025/02/12 12:32 Intermolecular interaction energies – [Intermolecular interaction energies] werner +2 B
2025/02/12 12:12 General hints - frequently asked questions – molpro: command not found FAQ doll +505 B
2025/02/11 14:31 PES generators – rauhut +10 B
2025/02/07 13:43 window-h-i6plus-occupied.png – created doll +55 KB
2025/02/07 13:01 Franck-Condon calculations – rauhut +2 KB
2025/02/07 12:55 Running Molpro on parallel computers – typo doll -1 B
2024/08/07 10:40 retina2.png – created doll +101.9 KB
2024/08/07 10:39 retina1.png – created doll +100.3 KB
2023/11/27 10:00 examples:disp_h2o_nh3.dat – removed may -115 B
2023/11/27 10:00 examples:h2o_nh3_uchf.dat – removed may -143.7 KB
2023/11/27 09:59 examples:disp.dat – removed may -50 B
2023/11/27 09:59 examples:h2o_tip_uchf.disp – removed may -331.6 KB
2023/11/27 09:59 examples:water64.xyz – removed may -9.2 KB
2023/11/27 09:59 examples:h2o_uchf.dat – removed may -130.8 KB
2023/11/27 09:59 examples:nh3_uchf.dat – removed may -157.8 KB