Match Unnormalized charge
Commits >
Commit 42d5c2c12b8376ac01df1778205b77ce6ca96480 >
Run spack_foss-2022a_cuda_serial >
Input 17-hgh_occupations.04-Au_sc.inp
Value | Reference | Precision | Status |
1.817643910000000e+02 | 1.816116630000000e+02 | 2.650000000000000e-01 | PASS |
Command: GREPFIELD(out, 'Unnormalized total charge = ', 6)