Match Hartree energy
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda] >
Input 17-scfinlcao_alt.01-gs.inp
Value | Reference | Precision | Status |
2.714909616350000e+03 | 2.714909395650000e+03 | 1.360000000000000e-07 | FAIL |
Command: GREPFIELD(static/info, 'Hartree =', 3)