Match Partial charge 40
Commits >
Commit 155f01ef7d18124a1050c3611747e8f8b44bbe31 >
Run foss-mpi-min: [foss2023a-mpi] >
Input 10-vdw_d3_dna.01-gs_novdw.inp
Value | Reference | Precision | Status |
9.830000000000000e-01 | 8.500000000000000e-01 | 4.250000000000000e-01 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 41)