Match Total energy
Commits >
Commit f72050fe95608e153e1887ef05d1ad42dc082fde >
Run intel-serial: [intel2023a-serial] >
Input 03-He-Hartree-Fock.01-gs.inp
Value | Reference | Precision | Status |
-2.947939590000000e+00 | -2.947939590000000e+00 | 1.470000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Total =', 3)