Match Hartree energy
Commits >
Commit adc9f2ea8065b70b337db7e35c2a67771b9e5a60 >
Run foss_cmake: [foss2022a-mpi, foss-full-mpi] >
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)