Match Hartree energy
Commits >
Commit b5086f89e5ba3598cb2c5ef57ca1b3f99761e498 >
Run intel_omp_autotools: [intel2022a-serial] >
Input 14-carbon_dojo_psp8.01-gs.inp
Value | Reference | Precision | Status |
1.205215187200000e+02 | 1.205215187200000e+02 | 1.210000000000000e-12 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)