Match M-solvent int. energy @ t=21*dt
Commits >
Commit f22bb0bcca4b53614d336c5e83de089ff68b1baa >
Run foss-mpi-omp-full: [foss2023a-mpi] >
Input 32-tdpcm_methane.03-td_prop_eom.inp
Value | Reference | Precision | Status |
-1.508533060255909e-02 | -1.502587164251000e-02 | 1.000000000000000e-04 | PASS |
Command: GREPFIELD(td.general/energy, ' 21', 12)