Match y (O) (t=200 au)
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
Run foss_autotools: [foss2023a-serial] >
Input 10-dftbplus_verlet.01-water.inp
Value | Reference | Precision | Status |
-8.897112984625568e-18 | -9.292331809823001e-18 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(dftbplus/td.general/coordinates, -1, 4)