Match Partial charge 15
Commits >
Commit 155f01ef7d18124a1050c3611747e8f8b44bbe31 >
Run foss-serial-full: [foss2023a-serial] >
Input 10-vdw_d3_dna.01-gs_novdw.inp
Value | Reference | Precision | Status |
4.131000000000000e+00 | 4.130000000000000e+00 | 2.070000000000000e-01 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 16)