Recent Changes

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2024/11/13 10:18 Vibration correlation programs – rauhut +79 B
2024/11/13 08:27 PES generators – rauhutmoschneide +973 B
2024/11/05 08:47 The NEVPT2 program – syntax error : orbit,record not orbital=record doll -2 B
2024/10/30 11:48 Quickstart – [Convergence thresholds] doll +199 B
2024/10/25 16:12 Basis input – remove links to basis.php may -416 B
2024/10/25 16:09 Table of Contents – remove link to basis.php may -60 B
2024/10/25 16:09 Nuclear-electronic orbital (NEO) method – remove link to basis.php may -42 B
2024/10/25 16:06 Effective core potentials – prominent basis library link may -42 B
2024/10/21 20:45 Symmetry-adapted intermolecular perturbation theory – #5146 may -25 B
2024/10/17 11:44 gmolpro graphical user interface – [• Using the builder alone] doll +234 B
2024/09/30 13:29 Recent changes – gmolpro 2.5.0 doll -9 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