Match Partial charge 40
Commits >
Commit f4bc596bdcf3afff33b833944576bfd5457df1bc >
Run foss-ppc: [foss2022a-serial] >
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)