Match Partial charge 30
Commits >
Commit e0b7240ece6c1278a2610f2d337090ca4d2c526d >
Run spack_foss-2022a_serial >
Input 10-vdw_d3_dna.01-gs_novdw.inp
Value | Reference | Precision | Status |
4.044000000000000e+00 | 4.064000000000000e+00 | 2.030000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 31)