Match Total energy
Commits >
Commit 15b914f6cf8a906b04634cf1151edac44a3f54fa >
Run spack_intel-2022a_impi_omp >
Input 31-acetylene_b3lyp.01-gs.inp
Value | Reference | Precision | Status |
-1.333925467000000e+01 | -1.333925462000000e+01 | 6.670000000000000e-08 | PASS |
Command: GREPFIELD(static/info, 'Total =', 3)