Match Ion-ion energy
Commits >
Commit 155f01ef7d18124a1050c3611747e8f8b44bbe31 >
Run foss-mpi-min: [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)