Match Partial charge 55
Commits >
Commit c461bdde143a1ab201b7896fffa943f7e4c29d0f >
Run foss-serial-min: [foss2022a-serial] >
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)