Match Partial charge 50
Commits >
Commit 9c86d3f9e0672ab6f34186f0e6ca5b729d8f047e >
Run intel-2022b_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)