Match Partial charge 60
Commits >
Commit 3c5618978387ff506850febf67c434621a2adfa2 >
Run foss-serial-full: [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)