Match z (O) (t=200 au)
Commits >
Commit 4ba99df89cd19114311b0fcb367f44d4f4e26fb8 >
Run intel_omp_autotools: [intel2022a-serial] >
Input 10-dftbplus_verlet.01-water.inp
Value | Reference | Precision | Status |
-3.468238009256994e-01 | -3.468238009257000e-01 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(dftbplus/td.general/coordinates, -1, 5)