Match molecule-solvent int. energy
Commits >
Commit 6dda27ed08cd9fd2b2f861e6109ead2bd6d3cd56 >
Run foss_mpi_debug_autotools: [foss2023a-mpi] >
Input 32-tdpcm_methane.01-ground_state.inp
| Value | Reference | Precision | Status |
| -1.501570000000000e-02 | -1.501570000000000e-02 | 7.510000000000000e-16 | PASS |
Command: GREPFIELD(static/info, 'E_M-solvent =', 3)