Match x (H) (t=200 au)
Commits >
Commit d3675615d01b7319f97a471d787a8168906684ed >
Run spack_foss-2022a_serial_omp >
Input 10-dftbplus_verlet.01-water.inp
Value | Reference | Precision | Status |
-1.447837823412349e+00 | -1.447837823412000e+00 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(dftbplus/td.general/coordinates, -1, 9)