Match Partial charge 50
Commits >
Commit f72050fe95608e153e1887ef05d1ad42dc082fde >
Run foss-ppc: [foss2022a-serial] >
Input 10-vdw_d3_dna.01-gs_novdw.inp
Value | Reference | Precision | Status |
9.960000000000000e-01 | 9.300000000000000e-01 | 4.650000000000000e-01 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 51)