Match Ion-ion energy
Commits >
Commit b6caf805fea115365f1246dd8a44b3bc3b7dd03a >
Run spack_foss-2022a_serial_debug >
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)