Match Total Energy
Commits >
Commit 0a2b0bf36feedeffb58bf70ad5882092a0f43b8a >
Run foss-omp-full: [foss2023a-serial] >
Input 04-vib_modes.01-ground_state.inp
Value | Reference | Precision | Status |
-7.648125800000000e-01 | -7.648123000000000e-01 | 3.820000000000000e-06 | PASS |
Command: GREPFIELD(static/info, 'Total =', 3)