Match x (H) (t=200 au)
Commits >
Commit 15b914f6cf8a906b04634cf1151edac44a3f54fa >
Run spack_foss-2022a_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, 6)