Match Fy (O) (t=200 au)
Commits >
Commit 6dda27ed08cd9fd2b2f861e6109ead2bd6d3cd56 >
Run intel_omp_autotools: [intel2023a-serial] >
Input 10-dftbplus_verlet.01-water.inp
Value | Reference | Precision | Status |
4.870162798325865e-18 | -1.115290118012000e-16 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(dftbplus/td.general/forces, -1, 4)