g-xtb¶
This is a preliminary version of g-xTB, a general-purpose semiempirical quantum mechanical method approximating ωB97M-V/def2-TZVPPD properties.
homepage: https://github.com/grimme-lab/g-xtb
| version | versionsuffix | toolchain |
|---|---|---|
1.1.0 |
-x86_64 |
system |
(quick links: (all) - 0 - a - b - c - d - e - f - g - h - i - j - k - l - m - n - o - p - q - r - s - t - u - v - w - x - y - z)