Match Hartree energy
Commits >
Commit b45a8fef6ff6ab58f3c67555688c7395ac2833ed >
Run autotools_foss_mpi_omp: [foss2023a-mpi] >
Input 10-fullerene.01-gs.inp
Value | Reference | Precision | Status |
3.954895867550000e+03 | 3.954895868660000e+03 | 9.079999999999999e-06 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)