Match electrons-solvent int. energy
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
Run foss_mpi_autotools: [foss2023a-mpi] >
Input 32-tdpcm_methane.01-ground_state.inp
Value | Reference | Precision | Status |
2.222834100000000e-01 | 2.222834100000000e-01 | 1.110000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'E_e-solvent =', 3)