Match z (H) (t=200 au)
Commits >
Commit b5086f89e5ba3598cb2c5ef57ca1b3f99761e498 >
Run foss-cmake-zen4: [foss2023a-serial, foss-full] >
Input 10-dftbplus_verlet.01-water.inp
Value | Reference | Precision | Status |
7.390503166188480e-01 | 7.390503166185000e-01 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(dftbplus/td.general/coordinates, -1, 11)