Match x (H) (t=200 au)
Commits >
Commit ff858744384f796bd1ad65ff45f26dd2d219c42c >
Run foss_autotools: [foss2023b-serial] >
Input 10-dftbplus_verlet.01-water.inp
| Value | Reference | Precision | Status |
| -1.447837823412274e+00 | -1.447837823412000e+00 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(dftbplus/td.general/coordinates, -1, 9)