Match Hartree energy
Commits >
Commit ff858744384f796bd1ad65ff45f26dd2d219c42c >
Run foss_cuda_autotools: [foss2022a-cuda-mpi] >
Input 18-mgga.06_nccs.inp
Value | Reference | Precision | Status |
3.610155790000000e+00 | 3.610174400000000e+00 | 3.570000000000000e-05 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)