Match Hartree energy
Commits >
Commit fe1e2fbde8e2f64defe360a8f89092b8d1773e8d >
Run cuda-mpi-omp: [foss2022a-cuda-mpi] >
Input 10-fullerene.01-gs.inp
Value | Reference | Precision | Status |
3.954895867550000e+03 | 3.954895868660000e+03 | 4.100000000000000e-05 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)