Match molecule-solvent int. energy
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
Run foss_cmake_mpi_min: [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)