Match Fy (H) (t=200 au)
Commits >
Commit e0b7240ece6c1278a2610f2d337090ca4d2c526d >
Run cmake_foss_2022a_full_serial >
Input 10-dftbplus_verlet.01-water.inp
Value | Reference | Precision | Status |
-1.644354260976919e-16 | 5.219451523246000e-17 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(dftbplus/td.general/forces, -1, 7)