Match Fz (O) (t=200 au)
Commits >
Commit bf0f47cf3302df97f9487d18148dd4e0cf599eb9 >
Run cmake_foss_2022a_full_serial >
Input 10-dftbplus_verlet.01-water.inp
Value | Reference | Precision | Status |
-9.060493832338840e-03 | -9.060493832761000e-03 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(dftbplus/td.general/forces, -1, 5)