Match molecule-solvent int. energy
Commits >
Commit 4b6d45842a438d46c51308ffa6e74b875e60d9e9 >
Run intel_omp_autotools: [intel2022a-serial] >
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)