Name | Date | Size | #Lines | LOC | ||
---|---|---|---|---|---|---|
.. | 08-Sep-2021 | - | ||||
alpha | H A D | 08-Sep-2021 | 76.1 KiB | 967 | 966 | |
auxbasis | H A D | 08-Sep-2021 | 13 | 4 | 3 | |
basis | H A D | 08-Sep-2021 | 559 | 28 | 27 | |
beta | H A D | 08-Sep-2021 | 76.1 KiB | 967 | 966 | |
control | H A D | 08-Sep-2021 | 2 KiB | 76 | 75 | |
converged | H A D | 08-Sep-2021 | 321 | 11 | 10 | |
coord | H A D | 08-Sep-2021 | 1.4 KiB | 24 | 23 | |
dscf.out | H A D | 08-Sep-2021 | 12.9 KiB | 338 | 226 | |
energy | H A D | 08-Sep-2021 | 1.1 KiB | 20 | 19 | |
gradient | H A D | 08-Sep-2021 | 39.1 KiB | 577 | 576 | |
hessapprox | H A D | 08-Sep-2021 | 36.2 KiB | 461 | 460 | |
job.start | H A D | 08-Sep-2021 | 682 | 14 | 11 | |
optinfo | H A D | 08-Sep-2021 | 5 KiB | 97 | 96 | |
statistics | H A D | 08-Sep-2021 | 3.9 KiB | 91 | 74 | |
tmp.input | H A D | 08-Sep-2021 | 1.7 KiB | 69 | 68 | |
uff.out | H A D | 08-Sep-2021 | 5.8 KiB | 110 | 83 | |
uffenergy | H A D | 08-Sep-2021 | 51 | 4 | 3 | |
uffgradient | H A D | 08-Sep-2021 | 3 KiB | 44 | 43 | |
uffgradx | H A D | 08-Sep-2021 | 1.7 KiB | 23 | 22 | |
uffhessian0-0 | H A D | 08-Sep-2021 | 112.5 KiB | 1,444 | 1,443 | |
ufftopology | H A D | 08-Sep-2021 | 11.4 KiB | 382 | 381 |