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2023/09/18 15:34 The density functional program – [Note on Minnesota Density Functionals] hesselmann +401 B
2023/09/11 14:16 Recent changes – [The CISPT2 method] werner +2 B
2023/09/04 12:36 gmolpro graphical user interface – crash seen on openSUSE15.5; workaround doll +172 B
2023/09/01 06:29 Installation guide – [Testing] may -290 B
2023/08/30 19:58 Automated construction of atomic valence active spaces (AVAS) – may +23 B
2023/08/21 11:00 Nuclear-electron orbital (NEO) method – information about cube file [NEO] rmata +130 B
2022/12/05 10:32 view_window.mp4 – removed peterk -19.7 MB
2022/12/05 10:32 starting_gmolpro_4k.mp4 – removed peterk -59.9 MB
2022/12/05 10:32 starting_gmolpro.mp4 – removed peterk -59.9 MB
2022/12/05 10:31 gmolpro_build_window.mp4 – removed peterk -82.3 MB
2022/12/05 10:31 gmolpro_backends.mp4 – removed peterk -29.1 MB
2022/12/05 10:31 intro_to_gmolpro.mp4 – removed peterk -158.5 MB
2022/12/05 10:31 input_window.mp4 – removed peterk -60.4 MB
2022/11/16 11:16 examples:furan_opt_ltdflucc2lr.inp – may +11 B
2022/11/16 10:52 examples:furan_opt_ltdflcc2lr.inp – may -814 B
2022/10/13 08:18 dockerfile.ubuntu22.04.txt – created may +1 KB
2022/10/13 08:18 dockerfile.lp154.txt – created may +1.4 KB
2022/10/13 08:18 dockerfile.fc36.txt – created may +897 B
2021/09/27 17:24 xcgrid.png – created hesselmann +740 B
2021/09/27 17:24 dftgrid.png – created hesselmann +741 B