Match Partial charge 35
Commits >
Commit b2c9b4a951ad3e3faeb99c2d543d652f634c0371 >
Run intel-2022b >
Input 10-vdw_d3_dna.01-gs_novdw.inp
Value | Reference | Precision | Status |
5.971000000000000e+00 | 5.971000000000000e+00 | 2.990000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 36)