Match Partial charge 50
Commits >
Commit 0a2b0bf36feedeffb58bf70ad5882092a0f43b8a >
Run foss_cmake: [foss2022a-mpi, foss-min-mpi] >
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)