Match Partial charge 50
Commits >
Commit 3f59639a2c09960e9ce8b923e2789a20396f5ecf >
Run spack_intel-2023a_serial >
Input 10-vdw_d3_dna.01-gs_novdw.inp
Value | Reference | Precision | Status |
9.970000000000000e-01 | 9.300000000000000e-01 | 4.650000000000000e-01 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 51)