Match Partial charge 1
Commits >
Commit eea8a333c8089a21a3b9f1d1480b55481f8cdee7 >
Run spack_intel-2022a_serial_omp >
Input 24-o2-spin.01-gs.inp
Value | Reference | Precision | Status |
6.000000000000000e+00 | 6.000000000000000e+00 | 1.000000000000000e-01 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 2)