Match molecule-solvent int. energy
Commits >
Commit 70b0ad3565a7ed52254e6fb5a8a40b027abeb4a7 >
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)