Match Initial energy
Commits >
Commit 1a80ca3478da7edc19284ff737aa0abfc175abac >
Run intel-2022a_impi >
Input 05-time_propagation.01-gs.inp
Value | Reference | Precision | Status |
-3.792395865000000e+01 | -3.792395865000000e+01 | 1.900000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Total =', 3)