Match Partial charge 60
Commits >
Commit 155f01ef7d18124a1050c3611747e8f8b44bbe31 >
Run foss-serial-min: [foss2023a-serial] >
Input 10-vdw_d3_dna.01-gs_novdw.inp
Value | Reference | Precision | Status |
9.980000000000000e-01 | 9.990000000000000e-01 | 5.000000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 61)