Match Total energy
Commits >
Commit f72050fe95608e153e1887ef05d1ad42dc082fde >
Run intel_mpi_omp_autotools: [intel2022a-mpi] >
Input 31-acetylene_b3lyp.01-gs.inp
Value | Reference | Precision | Status |
-1.333939741000000e+01 | -1.333939704000000e+01 | 4.070000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Total =', 3)