Match Ion-ion energy
Commits >
Commit efc44ae2259e56922145db535c825ce53e4127cb >
Run foss_autotools: [foss2022a-serial] >
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)