Match Hartree energy
Commits >
Commit 16a288d93f4684890591c6dab8ffeadb82c84e9a >
Run foss_autotools: [foss2022a-serial] >
Input 14-carbon_dojo_psp8.01-gs.inp
Value | Reference | Precision | Status |
1.205215349100000e+02 | 1.205215349100000e+02 | 6.030000000000000e-08 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)