Match Initial energy
Commits >
Commit f22bb0bcca4b53614d336c5e83de089ff68b1baa >
Run intel-serial: [intel2023a-serial] >
Input 06-caetrs.01-gs.inp
Value | Reference | Precision | Status |
-1.058482984000000e+01 | -1.058482984000000e+01 | 5.290000000000000e-08 | PASS |
Command: GREPFIELD(static/info, 'Total =', 3)