Match Partial charge 30
Commits >
Commit 467aee6bb6aa6bf5b31aed5cccd88bd7f10f5124 >
Run intel-2022a >
Input 10-vdw_d3_dna.01-gs_novdw.inp
Value | Reference | Precision | Status |
4.044000000000000e+00 | 4.064000000000000e+00 | 2.030000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 31)