Match Hartree energy
Commits >
Commit 968a3ff7080ffa1f89f08d37efc7416527769dec >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] >
Input 14-fullerene_unpacked.01-gs.inp
Value | Reference | Precision | Status |
3.988937003680000e+03 | 3.988936987400000e+03 | 2.030000000000000e-05 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)