Match Partial charge 50
Commits >
Commit 32ddd3547162625b90bad3fe3e58ca7314bc5873 >
Run intel-2022a_impi >
Input 10-vdw_d3_dna.01-gs_novdw.inp
| Value | Reference | Precision | Status |
| 9.970000000000000e-01 | 9.300000000000000e-01 | 4.650000000000000e-01 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 51)