Match Partial charge 55
Commits >
Commit 08a5f74afd5d598cfac916cc3bce9be78be030c2 >
Run foss-cmake-zen4: [foss2023a-serial, foss-min] >
Input 10-vdw_d3_dna.01-gs_novdw.inp
| Value | Reference | Precision | Status |
| 9.960000000000000e-01 | 9.960000000000000e-01 | 4.980000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 56)