Match M-solvent int. energy @ t=0
Commits >
Commit 9c5e1a9ae4a97d24a493b8c6c0caa96edfef5d41 >
Run foss_cmake: [foss2022a-mpi, foss-min-mpi] >
Input 32-tdpcm_methane.02-td_prop_neq.inp
Value | Reference | Precision | Status |
-1.501569625178233e-02 | -1.495587719231000e-02 | 1.000000000000000e-04 | PASS |
Command: GREPFIELD(td.general/energy, ' 0', 12)