Match Hartree energy
Commits >
Commit f8aeac8acec97cad57d0dc81a915c34dc5591a3a >
Run intel_omp_autotools: [intel2023a-serial] >
Input 02-ACBN0.02-lif.inp
Value | Reference | Precision | Status |
8.279869789999999e+00 | 8.279869789999999e+00 | 4.140000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)