Match molecule-solvent int. energy
Commits >
Commit 968a3ff7080ffa1f89f08d37efc7416527769dec >
Run foss_mpi_autotools: [foss2022a-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)