Match Eigenvalue 1
Commits >
Commit 1bf2bc61d0085049d6bd7294e2825d85d95584e0 >
Run intel_mpi_autotools: [intel2023a-mpi] >
Input 31-acetylene_b3lyp.01-gs.inp
Value | Reference | Precision | Status |
-7.571590000000000e-01 | -7.571610000000000e-01 | 3.790000000000000e-05 | PASS |
Command: GREPFIELD(static/info, ' 1 --', 3)