Match y (O) (t=200 au)
Commits >
Commit e2663e21d2b19b776c1ae6497ca3d74f14dbf310 >
Run spack_foss-2022a_serial_omp >
Input 10-dftbplus_verlet.01-water.inp
Value | Reference | Precision | Status |
-4.296896512235347e-18 | -9.292331809823001e-18 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(dftbplus/td.general/coordinates, -1, 4)