Match x (O) (t=200 au)
Commits >
Commit 8d23e603cdf2a9650728391e2c6c79d08499fe04 >
Run spack_foss-2022a_serial_omp >
Input 10-dftbplus_verlet.01-water.inp
Value | Reference | Precision | Status |
4.386706938992400e-15 | 5.029474818285000e-15 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(dftbplus/td.general/coordinates, -1, 3)