Match M-solvent int. energy @ t=21*dt
Commits >
Commit 6dda27ed08cd9fd2b2f861e6109ead2bd6d3cd56 >
Run foss_mpi_min_autotools: [foss2022a-mpi] >
Input 32-tdpcm_methane.03-td_prop_eom.inp
Value | Reference | Precision | Status |
-1.508533060260742e-02 | -1.502587164251000e-02 | 1.000000000000000e-04 | PASS |
Command: GREPFIELD(td.general/energy, ' 21', 12)