Match Ion-ion energy
Commits >
Commit 3186a8a51be7ad5a27ccff6e8e2901df0a16a559 >
Run GCI_foss_mpi_autotools: [foss2023a-mpi] >
Input 31-acetylene_b3lyp.01-gs.inp
| Value | Reference | Precision | Status |
| 1.315759358000000e+01 | 1.315759358000000e+01 | 6.579999999999999e-08 | PASS |
Command: GREPFIELD(static/info, 'Ion-ion =', 3)