Match Eigenvalue 7
Commits >
Commit 15b914f6cf8a906b04634cf1151edac44a3f54fa >
Run cmake_foss_2022a_full_serial >
Input 31-acetylene_b3lyp.01-gs.inp
Value | Reference | Precision | Status |
2.811100000000000e-02 | 2.811100000000000e-02 | 1.410000000000000e-05 | PASS |
Command: GREPFIELD(static/info, ' 7 --', 3)