Match M-solvent int. energy @ t=0
Commits >
Commit dbbd967b788cdda4a2df74a46ac2e5066a09d99b >
Run foss-mpi-debug: [foss2023a-mpi] >
Input 32-tdpcm_methane.02-td_prop_neq.inp
Value | Reference | Precision | Status |
-1.501569625173400e-02 | -1.495587719231000e-02 | 1.000000000000000e-04 | PASS |
Command: GREPFIELD(td.general/energy, ' 0', 12)