Match Fy (O) (t=200 au)
Commits >
Commit 7a2379c5947d58fb2522a5e1a0c4903dfa35a523 >
Run spack_intel-2023a_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)