Match Energy [step 100]
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda] >
Input 02-qd_2e_2d.02-td.inp
Value | Reference | Precision | Status |
3.935727829645045e+00 | 3.935727829645000e+00 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(td.general/energy, -1, 3)