Match Hartree energy
Commits >
Commit e4c059220ca1a60f4b3fbcd10e5162435e5fcc26 >
Run cuda-serial: [foss2022a-cuda-mpi] >
Input 13-primitive.01-diamond.inp
Value | Reference | Precision | Status |
1.000006560000000e+00 | 1.000000000000000e+00 | 5.000000000000000e+00 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)