Match Hartree energy
Commits >
Commit 6dda27ed08cd9fd2b2f861e6109ead2bd6d3cd56 >
Run foss_autotools: [foss2023b-serial] >
Input 11-isotopes.01-deuterium.inp
Value | Reference | Precision | Status |
2.955577600000000e-01 | 2.955485500000000e-01 | 3.000000000000000e-05 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)